SCHEMBL9947039

SCHEMBL9947039

Cc1ccc(CNC(=O)C(C)(C)C)c(I)c1Nc1nc2cc(C(=O)NC3(c4ccc(F)cc4)CC3)c(N3CCC(C(F)(F)F)CC3)cc2n1C

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.80

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
SCHEMBL9946772 0.89 PTGES (1.00) PTGES
SCHEMBL9947036 0.86 PTGES (0.79) PTGES
SCHEMBL9947040 0.84 PTGES (0.73) PTGES
SCHEMBL9947041 0.83 PTGES (0.80) PTGES
SCHEMBL9947038 0.82 PTGES (0.80) PTGES
SCHEMBL14233874 0.79 PTGES (0.81) PTGES
SCHEMBL9946659 0.78 PTGES (1.00) PTGES
SCHEMBL9946598 0.76 PTGES (1.00) PTGES
SCHEMBL9946859 0.75 PTGES (1.00) PTGES
SCHEMBL9946742 0.74 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-2012076673-A1 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed