Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6902674

CCCCCCc1ccc(-c2cccc3c2C=C([Zr+2]C2=Cc4c(-c5ccc(CCCCCC)cc5)cccc4C2c2ccccn2)C3c2ccccn2)cc1.[Cl-].[Cl-]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA

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
SLC6A2 known ✓ P23975 1/20 0.38
HTR2A P28223 2/20 0.38
DRD2 P14416 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HSD11B1 P28845 3/20 0.35
NPC1 O15118 1/20 0.34
STAT3 P40763 1/20 0.34
ATM Q13315 1/20 0.34

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 SCHEMBL6903366 0.96 BRS3 (0.36) MEN1KMT2AMAPTRAB9AALDH1A1
Hydrochloric Acid SCHEMBL6903467 0.92 GPR88 (0.38) MEN1KMT2AMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6902388 0.87 NPC1 (0.36) KMT2AMAPTRAB9ASMN1; SMN2KDM4E
SCHEMBL6903050 0.86 HTR2A (0.38) HTR2ADRD2SLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL6899139 0.82 SYK (0.40) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL6901173 0.82 BRS3 (0.36) KMT2AMAPTRAB9AALDH1A1HSD11B1
Hydrochloric Acid SCHEMBL6904743 0.80 ALDH1A1 (0.37) KMT2AMAPTRAB9AALDH1A1NPC1
Hydrochloric Acid SCHEMBL6904678 0.80 ALDH1A1 (0.33) MEN1KMT2AMAPTRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6895494 0.79 HSD11B1 (0.35) HTR2ADRD2SLC6A2HTR2CSLC6A4
Hydrochloric Acid SCHEMBL6897842 0.79 RARB (0.33) HTR2ADRD2SLC6A2HTR2CSLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033371-B1 Transition metal compound, catalyst system, process for the preparation thereof and its use for the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2004-01-28 EP claimed
US-6458982-B1 CATALYST SYSTEM COMPRISING AT LEAST ONE METALLOCENE AND AT LEAST ONE COCATALYST. ON SUPPORT. TARGOR GMBH (DE) 2002-10-01 US disclosed