SCHEMBL10170070

SCHEMBL10170070

CC(C)(C)C(=O)NCc1ccc(Cl)c(Nc2nc3cc(C(N)=O)c(F)c(F)c3[nH]2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.56

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
SCHEMBL670779 0.88 PTGES (0.59) PTGES
SCHEMBL670871 0.86 PTGES (0.71) PTGES
SCHEMBL10170950 0.83 PTGES (0.80) PTGES
SCHEMBL671060 0.83 PTGES (0.61) PTGES
SCHEMBL670384 0.82 PTGES (0.59) PTGES
SCHEMBL671672 0.80 PTGES (0.69) PTGES
SCHEMBL670920 0.79 PTGES (0.73) PTGES
SCHEMBL671516 0.77 PTGES (0.79) PTGES
SCHEMBL10170067 0.77 PTGES (0.71) PTGES
SCHEMBL11970113 0.76 PTGES (0.81) 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