Hydrochloric Acid

Hydrochloric Acid

SCHEMBL11040058

CC(=O)N1NC(C(C)(C)C)=Nc2cnc3ccccc3c21.Cl

nearest known ligand 0.33

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
▸ BCHE known ✓ P06276 1/20 0.31
▸ GABRP known ✓ O00591 1/20 0.30
▸ GABRD known ✓ O14764 1/20 0.30
▸ GABRA1 known ✓ P14867 1/20 0.30
▸ GABRB1 known ✓ P18505 1/20 0.30
▸ GABRG2 known ✓ P18507 1/20 0.30
▸ GABRB3 known ✓ P28472 1/20 0.30
▸ GABRA5 known ✓ P31644 1/20 0.30
▸ GABRA3 known ✓ P34903 1/20 0.30
▸ GABRA2 known ✓ P47869 1/20 0.30
▸ GABRB2 known ✓ P47870 1/20 0.30
▸ GABRA4 known ✓ P48169 1/20 0.30
▸ GABRE known ✓ P78334 1/20 0.30
▸ GABRA6 known ✓ Q16445 1/20 0.30
▸ GABRG1 known ✓ Q8N1C3 1/20 0.30
▸ GABRG3 known ✓ Q99928 1/20 0.30
▸ GABRQ known ✓ Q9UN88 1/20 0.30
▸ LMNA P02545 1/20 0.33
▸ DUSP10 Q9Y6W6 1/20 0.32
▸ GRM5 P41594 3/20 0.32

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
SCHEMBL11037970 0.99 LMNA (0.33) LMNADUSP10GRM5SLC22A12ALDH1A1
Hydrochloric Acid SCHEMBL11041821 0.83 DUSP10 (0.33) LMNADUSP10GRM5ALDH1A1SMN1; SMN2
SCHEMBL11040120 0.81 DUSP10 (0.33) LMNADUSP10GRM5SLC22A12ALDH1A1
Hydrochloric Acid SCHEMBL11052293 0.79 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11357746 0.78 BCHE (0.37) KMT2ABCHE
Hydrochloric Acid SCHEMBL11037314 0.78 USP5 (0.34) LMNADUSP10ALDH1A1SMN1; SMN2MEN1
SCHEMBL11053054 0.78 ALDH1A1 (0.34) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL11036638 0.77 PDE4A (0.40) LMNAALDH1A1BCHETLR7
Hydrochloric Acid SCHEMBL11389008 0.77 BCHE (0.38) MEN1KMT2ABCHEKDM4E
SCHEMBL11249911 0.77 BCHE (0.37) KMT2ABCHE

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
EP-0038528-B1 DIHYDRO-AS-TRIAZINO(5,6-C)QUINOLINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1984-08-08 — — EP disclosed
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