SCHEMBL10170844

SCHEMBL10170844

Cc1ccc(Cl)cc1NC(=O)c1cc2nc(Nc3c(Cl)ccc(CNC(=O)C(C)(C)C)c3Cl)n(C)c2cc1O

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.76

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
SCHEMBL10170885 0.91 PTGES (0.80) PTGES
SCHEMBL10170829 0.87 PTGES (0.84) PTGES
SCHEMBL10170185 0.86 PTGES (1.00) PTGES
SCHEMBL10170946 0.86 PTGES (1.00) PTGES
SCHEMBL10170865 0.85 PTGES (0.73) PTGES
SCHEMBL10170073 0.85 PTGES (0.77) PTGES
SCHEMBL10170078 0.85 PTGES (0.88) PTGES
SCHEMBL10170071 0.84 PTGES (0.73) PTGES
SCHEMBL10170144 0.84 PTGES (0.87) PTGES
SCHEMBL10170149 0.84 PTGES (0.88) 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