SCHEMBL9715679

SCHEMBL9715679

Cc1ccc(C#N)c(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
TRPV4 Q9HBA0 1/20 0.39

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
SCHEMBL31621318 0.84 AR (0.50) ARTSHRALDH1A1HTR2AHTR2C
SCHEMBL10733139 0.84 AR (0.50) ARTSHRALDH1A1HTR2AHTR2C
SCHEMBL13199465 0.84 AR (0.43) ARTSHRALDH1A1TRPV4
SCHEMBL29863815 0.84 AR (0.51) ARTSHRALDH1A1
SCHEMBL13106347 0.84 AR (0.51) ARTSHRALDH1A1
SCHEMBL5163774 0.82 AR (0.46) ARTSHRALDH1A1HTR2AHTR2C
SCHEMBL19628965 0.80 AR (0.41) ARTSHRALDH1A1TRPV4
SCHEMBL13199474 0.80 AR (0.45) ARTSHRALDH1A1HTR2AHTR2C
SCHEMBL21860014 0.80 AR (0.41) ARTSHRALDH1A1HTR2AHTR2C
SCHEMBL28201223 0.80 AR (0.41) ARTSHRALDH1A1HTR2AHTR2C

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-5136110-A Reacting phenol with suitable aromatic halogen compounds; recovering triaryl bisphenols THE DOW CHEMICAL COMPANY (US) 1992-08-04 US claimed