SCHEMBL10170908

SCHEMBL10170908

Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3cccc(C(F)(F)F)n3)c(O)cc21

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.78

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
SCHEMBL10170091 0.88 PTGES (1.00) PTGES
SCHEMBL10170071 0.87 PTGES (0.73) PTGES
SCHEMBL10170869 0.86 PTGES (0.79) PTGES
SCHEMBL10170907 0.86 PTGES (0.79) PTGES
SCHEMBL10169973 0.86 PTGES (0.79) PTGES
SCHEMBL9946875 0.86 PTGES (1.00) PTGES
SCHEMBL9946749 0.86 PTGES (1.00) PTGES
SCHEMBL9946596 0.85 PTGES (1.00) PTGES
SCHEMBL10170832 0.85 PTGES (0.77) PTGES
SCHEMBL10170829 0.85 PTGES (0.84) 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