SCHEMBL10169994

SCHEMBL10169994

Bc1ccc(NC(=O)c2cc3nc(Nc4c(Cl)ccc(CNC(=O)C(C)(C)C)c4Cl)[nH]c3cc2OCC(F)F)cc1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.83

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
SCHEMBL10169989 0.93 PTGES (0.95) PTGES
SCHEMBL670785 0.88 PTGES (0.76) PTGES
SCHEMBL16152517 0.88 PTGES (0.76) PTGES
SCHEMBL670920 0.87 PTGES (0.73) PTGES
SCHEMBL10169982 0.86 PTGES (0.87) PTGES
SCHEMBL10169969 0.83 PTGES (0.95) PTGES
SCHEMBL10170047 0.83 PTGES (0.95) PTGES
SCHEMBL16152537 0.80 PTGES (0.63) PTGES
SCHEMBL10091466 0.80 PTGES (0.69) PTGES
SCHEMBL10170883 0.80 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