Hydrochloric Acid

Hydrochloric Acid

SCHEMBL28836366

Cl.Nc1ccc(-c2ccc(N)c(N)c2)cc1N.O

nearest known ligand 0.88

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
KCNH2 known ✓ Q12809 2/20 0.56
CYP19A1 known ✓ P11511 2/20 0.48
GAA known ✓ P10253 2/20 0.41
HSP90AA1 known ✓ P07900 1/20 0.41
ESR2 known ✓ Q92731 1/20 0.39
TDP1 Q9NUW8 6/20 0.88
KMT2A Q03164 5/20 0.88
MEN1 O00255 4/20 0.88
CYP3A4 P08684 8/20 0.55
ALDH1A1 P00352 7/20 0.55
TSHR P16473 4/20 0.55
MAPK1 P28482 2/20 0.55
ALOX15 P16050 6/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP17A1 P05093 2/20 0.48
CYP11B1 P15538 2/20 0.48
CYP11B2 P19099 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 1/20 0.46
THRB P10828 1/20 0.46

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 SCHEMBL6650565 1.00 TDP1 (0.88) TDP1KMT2AMEN1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL30078382 1.00 TDP1 (0.88) TDP1KMT2AMEN1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL866164 1.00 TDP1 (0.88) TDP1KMT2AMEN1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL504482 0.97 TDP1 (0.93) TDP1KMT2AMEN1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL29378721 0.97 TDP1 (0.93) TDP1KMT2AMEN1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL29497777 0.97 TDP1 (0.93) TDP1KMT2AMEN1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL874057 0.97 TDP1 (0.93) TDP1KMT2AMEN1KCNH2CYP3A4
Water SCHEMBL3137651 0.97 TDP1 (0.93) TDP1KMT2AMEN1KCNH2CYP3A4
Water SCHEMBL10589317 0.97 TDP1 (0.93) TDP1KMT2AMEN1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL94882 0.97 TDP1 (0.93) TDP1KMT2AMEN1KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114990734-B Graphene assembly fiber and preparation method and application thereof 苏州大学 2024-08-16 CN disclosed
WO-2023236352-A1 AMINE-COMPOUND-MODIFIED GRAPHENE FILM AND PREPARATION METHOD THEREFOR 苏州大学 2023-12-14 WO disclosed
WO-2023236351-A1 GRAPHENE ASSEMBLY FIBER, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州大学 2023-12-14 WO disclosed
CN-115072714-B Amine compound modified graphene film and preparation method thereof 苏州大学 2023-10-13 CN disclosed
CN-115072714-A Amine compound modified graphene film and preparation method thereof 苏州大学 2022-09-20 CN disclosed
CN-114990734-A Graphene assembly fiber and preparation method and application thereof 苏州大学 2022-09-02 CN disclosed