Hydrochloric Acid

Hydrochloric Acid

SCHEMBL9010009

CC1=C(C)C(C)([SiH](C)C)C([Ti+2]c2cc3ccccc3[nH]2)=C1C.[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 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.34
AOC3 Q16853 2/20 0.31
AURKA O14965 1/20 0.30
AURKB Q96GD4 1/20 0.30
CHEK1 O14757 1/20 0.30
KDR P35968 1/20 0.30

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 SCHEMBL8463906 0.84 BRD4 (0.37) BRD4AOC3AURKAAURKBCHEK1
Hydrochloric Acid SCHEMBL9010040 0.75 AHR (0.38)
Hydrochloric Acid SCHEMBL9010007 0.74
Hydrochloric Acid SCHEMBL9010161 0.72 BRD4 (0.34) BRD4AOC3AURKAAURKBCHEK1
Hydrochloric Acid SCHEMBL9010146 0.72 KIF11 (0.31)
Hydrochloric Acid SCHEMBL9010162 0.68
Hydrochloric Acid SCHEMBL8459750 0.65 AOC3 (0.47) BRD4AOC3AURKAAURKBCHEK1
Hydrochloric Acid SCHEMBL8460240 0.62 CHRNA7 (0.33) BRD4AURKAAURKB
Hydrochloric Acid SCHEMBL9010147 0.62 KDM4E (0.33) BRD4AOC3CHEK1KDR
Hydrochloric Acid SCHEMBL8462828 0.62 CYP2A6 (0.43) BRD4AOC3CHEK1KDR

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-0741145-A1 Olefin polymerization catalyst and process for producing polyolefin using the same SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-11-06 EP disclosed