Hydrochloric Acid

Hydrochloric Acid

SCHEMBL7730635

C1=C(c2ccco2)C([Ti+2]C2C(c3ccco3)=Cc3c(-c4ccccc4)cccc32)c2cccc(-c3ccccc3)c21.[Cl-].[Cl-]

nearest known ligand 0.35

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
SMARCA2 P51531 1/20 0.35
PBRM1 Q86U86 1/20 0.35
ALDH1A1 P00352 5/20 0.33
HSD17B10 Q99714 5/20 0.33
KDM4E B2RXH2 4/20 0.33
HPGD P15428 3/20 0.33
PIK3R1 P27986 2/20 0.33
PIK3CA P42336 2/20 0.33
MEN1 O00255 2/20 0.33
USP2 O75604 2/20 0.33
POLB P06746 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ESR1 P03372 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33

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 SCHEMBL7728448 0.84 KDM4E (0.33) ALDH1A1HSD17B10KDM4EHPGDMEN1
Hydrochloric Acid SCHEMBL15863273 0.83 SMARCA2 (0.36) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL3669142 0.82 SMARCA2 (0.35) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL7730993 0.82 SMARCA2 (0.35) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL28036479 0.81 SMARCA2 (0.37) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL15863271 0.80 SMARCA2 (0.36) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
Hydrochloric Acid SCHEMBL7731186 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7730639 0.79 SMARCA2 (0.35) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL3669145 0.78 SMARCA2 (0.35) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E
SCHEMBL15863275 0.78 SMARCA2 (0.35) SMARCA2PBRM1ALDH1A1HSD17B10KDM4E

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
US-6479646-B1 Metallocene compounds having indenyl ligand and catalysts for olefin polymerization containing the same CHISSO CORPORATION (JP) 2002-11-12 US disclosed