Hydrochloric Acid

Hydrochloric Acid

SCHEMBL30341843

COc1cc(-c2cn[nH]c2)ccc1C(=O)Nc1ccc2c(c1)CCNCC2.Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Hydrochloric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FLT3 known ✓ P36888 2/20 1.00
▸ ROCK2 known ✓ O75116 13/20 0.50
▸ ROCK1 known ✓ Q13464 13/20 0.50
▸ MELK Q14680 4/20 1.00
▸ CAMK2G Q13555 1/20 1.00
▸ CAMK2D Q13557 1/20 1.00
▸ MYLK Q15746 1/20 1.00
▸ MKNK2 Q9HBH9 1/20 1.00
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ SLC2A1 P11166 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29547897 0.99 MELK (1.00) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL23818372 0.99 MELK (1.00) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290866 0.86 MELK (0.77) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291161 0.84 MELK (0.74) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290500 0.84 MELK (0.73) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291125 0.84 MELK (0.73) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291298 0.82 MELK (0.71) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290838 0.82 MELK (0.70) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20291160 0.81 MELK (0.69) MELKFLT3CAMK2GCAMK2DMYLK
SCHEMBL20290519 0.80 MELK (0.67) MELKFLT3CAMK2GCAMK2DMYLK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228552-A9 NANOPORE TWEEZER APPROACH FOR PROTEIN KINASE ALLOSTERIC DRUG SCREENING UNIVERSITY OF MASSACHUSETTS 2024-07-11 — — US claimed
US-20240132551-A1 NANOPORE TWEEZER APPROACH FOR PROTEIN KINASE ALLOSTERIC DRUG SCREENING UNIV MASSACHUSETTS (US) 2024-04-25 — — US claimed
US-12295955-B2 TTP phosphorylation for the identification of personalized medicines KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2025-05-13 — — US disclosed
US-20240390406-A1 PHOSPHORYLATED TRISTETRAPROLIN AS A BIOMARKER AND THERAPEUTIC TARGET FOR ANTIAGING DRUGS KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2024-11-28 — — US disclosed
EP-4467978-A1 PHOSPHORYLATED TRISTETRAPROLIN AS A BIOMARKER AND THERAPEUTIC TARGET FOR ANTI-AGING DRUGS King Faisal Specialist Hospital & Research Centre (SA) 2024-11-27 — — EP disclosed
US-20240228552-A9 NANOPORE TWEEZER APPROACH FOR PROTEIN KINASE ALLOSTERIC DRUG SCREENING UNIVERSITY OF MASSACHUSETTS 2024-07-11 — — US disclosed
US-20240132551-A1 NANOPORE TWEEZER APPROACH FOR PROTEIN KINASE ALLOSTERIC DRUG SCREENING UNIV MASSACHUSETTS (US) 2024-04-25 — — US disclosed
US-20230310437-A1 TTP PHOSPHORYLATION FOR THE IDENTIFICATION OF PERSONALIZED MEDICINES KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2023-10-05 — — US disclosed
US-11648251-B2 TTP phosphorylation as a biomarker in targeted therapy KING FAISAL SPECIALIST HOSPITAL & RESEARCH CENTRE (SA) 2023-05-16 — — US disclosed
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