SCHEMBL10169980

SCHEMBL10169980

Bc1ccc(NC(=O)c2cc3nc(Nc4c(F)ccc(CNC(=O)C(C)(C)C)c4F)n(C)c3cc2F)cc1

nearest known ligand 0.85

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.85

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
SCHEMBL11994068 0.92 PTGES (1.00) PTGES
SCHEMBL10169979 0.89 PTGES (0.88) PTGES
SCHEMBL10170063 0.82 PTGES (1.00) PTGES
SCHEMBL10170053 0.82 PTGES (1.00) PTGES
SCHEMBL10170852 0.81 PTGES (0.77) PTGES
SCHEMBL20718599 0.81 PTGES (0.86) PTGES
SCHEMBL10169963 0.81 PTGES (1.00) PTGES
SCHEMBL10169978 0.81 PTGES (1.00) PTGES
SCHEMBL11993965 0.80 PTGES (0.79) PTGES
SCHEMBL10169976 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