Hydrochloric Acid

Hydrochloric Acid

SCHEMBL19748580

Cl.Cl.N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(NC(=O)[C@H](N)Cc2c[nH]c3ccccc23)c1

nearest known ligand 0.63

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 20)

geneUniProtsupporting neighboursconfidence
ROCK2 known ✓ O75116 1/20 0.61
PRKCG known ✓ P05129 1/20 0.61
FLT4 known ✓ P35916 1/20 0.61
PRKCQ known ✓ Q04759 1/20 0.61
PRKCZ known ✓ Q05513 1/20 0.61
PRKCD known ✓ Q05655 1/20 0.61
ROCK1 known ✓ Q13464 1/20 0.61
TACR1 known ✓ P25103 2/20 0.55
HDAC8 known ✓ Q9BY41 3/20 0.54
HDAC3 known ✓ O15379 1/20 0.52
HDAC4 known ✓ P56524 1/20 0.52
HDAC1 known ✓ Q13547 1/20 0.52
HDAC7 known ✓ Q8WUI4 1/20 0.52
HDAC2 known ✓ Q92769 1/20 0.52
HDAC10 known ✓ Q969S8 1/20 0.52
HDAC11 known ✓ Q96DB2 1/20 0.52
HDAC6 known ✓ Q9UBN7 1/20 0.52
HDAC9 known ✓ Q9UKV0 1/20 0.52
HDAC5 known ✓ Q9UQL6 1/20 0.52
ADRB1 known ✓ P08588 1/20 0.50

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
Hydrochloric Acid SCHEMBL19748954 1.00 RUVBL1 (0.63) RUVBL1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL21082966 0.93 MEN1 (0.69) RUVBL1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL19747056 0.93 MEN1 (0.69) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL30767397 0.91 MEN1 (0.71) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL9610738 0.91 MEN1 (0.71) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL9609465 0.91 MEN1 (0.71) RUVBL1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL19748758 0.91 RUVBL1 (0.73) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL4557829 0.91 RUVBL1 (0.57) RUVBL1KDM4EMEN1LMNAMPO
SCHEMBL2988112 0.87 MEN1 (0.61) RUVBL1KDM4EMEN1LMNAMPO
Hydrochloric Acid SCHEMBL19747609 0.86 KMT2A (0.67) RUVBL1KDM4EMEN1LMNAMPO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017223098-A1 BIS-AMINO ACID BASED COMPOUND AND USE THEREOF THE CURATORS OF THE UNIVERSITY OF MISSOURI (US) 2017-12-28 WO disclosed