SCHEMBL10169979

SCHEMBL10169979

Bc1ccc(NC(=O)c2cc3nc(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)n(C)c3cc2F)cc1

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.88

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
SCHEMBL10170063 0.94 PTGES (1.00) PTGES
SCHEMBL10169963 0.92 PTGES (1.00) PTGES
SCHEMBL10170053 0.91 PTGES (1.00) PTGES
SCHEMBL10169980 0.89 PTGES (0.85) PTGES
SCHEMBL10170056 0.88 PTGES (1.00) PTGES
SCHEMBL10170948 0.88 PTGES (1.00) PTGES
SCHEMBL10170149 0.88 PTGES (0.88) PTGES
SCHEMBL10169982 0.87 PTGES (0.87) PTGES
SCHEMBL24626445 0.87 PTGES (0.90) PTGES
SCHEMBL10170946 0.87 PTGES (1.00) PTGES

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
WO-2012022793-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-23 WO disclosed