Hydrochloric Acid

Hydrochloric Acid

SCHEMBL6904131

C1=C(c2ccc(-c3ccccc3)s2)C([Zr+2]C2C(c3ccc(-c4ccccc4)s3)=Cc3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21.[Cl-].[Cl-]

nearest known ligand 0.34

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 9)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NQO2 P16083 1/20 0.32
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31

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 SCHEMBL6898784 0.93 RXFP1 (0.33) HSD17B1HSD17B2NQO2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL6902491 0.91 TP53 (0.37)
Hydrochloric Acid SCHEMBL6904498 0.90 PTGS2 (0.32)
Hydrochloric Acid SCHEMBL6902697 0.89
Hydrochloric Acid SCHEMBL6903286 0.89 PTAFR (0.31) HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL6898086 0.89 PTAFR (0.32)
Hydrochloric Acid SCHEMBL6899121 0.88 ADORA2A (0.33) HSD17B1HSD17B2
Hydrochloric Acid SCHEMBL6902675 0.88 PTPN1 (0.32)
Hydrochloric Acid SCHEMBL6902770 0.87 CA12 (0.36) HSD17B1HSD17B2NQO2
Hydrochloric Acid SCHEMBL6901256 0.86 CYP2E1 (0.35) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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