SCHEMBL10170868

SCHEMBL10170868

Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(N)=O)c(O)cc21

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.67

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
SCHEMBL10169896 0.92 PTGES (0.62) PTGES
SCHEMBL671516 0.90 PTGES (0.79) PTGES
SCHEMBL10170865 0.89 PTGES (0.73) PTGES
SCHEMBL10170846 0.87 PTGES (0.85) PTGES
SCHEMBL10170843 0.86 PTGES (0.75) PTGES
SCHEMBL10170148 0.86 PTGES (0.79) PTGES
SCHEMBL10170887 0.86 PTGES (0.76) PTGES
SCHEMBL10169997 0.86 PTGES (0.76) PTGES
SCHEMBL10169975 0.86 PTGES (0.75) PTGES
SCHEMBL670964 0.85 PTGES (0.75) 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