SCHEMBL10169982

SCHEMBL10169982

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

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.87

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
SCHEMBL10170883 0.93 PTGES (1.00) PTGES
SCHEMBL10170933 0.93 PTGES (1.00) PTGES
SCHEMBL10169991 0.91 PTGES (1.00) PTGES
SCHEMBL10170924 0.91 PTGES (1.00) PTGES
SCHEMBL10170941 0.90 PTGES (1.00) PTGES
SCHEMBL10170936 0.89 PTGES (1.00) PTGES
SCHEMBL10170160 0.89 PTGES (1.00) PTGES
SCHEMBL10170164 0.89 PTGES (1.00) PTGES
SCHEMBL10170186 0.89 PTGES (1.00) PTGES
SCHEMBL10170939 0.89 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