SCHEMBL9947025

SCHEMBL9947025

CCn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N3CC[C@@H](F)C3)cc21

nearest known ligand 0.88

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.88

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
SCHEMBL9898763 0.93 PTGES (1.00) PTGES
SCHEMBL9899579 0.93 PTGES (1.00) PTGES
SCHEMBL9946829 0.93 PTGES (1.00) PTGES
SCHEMBL9946768 0.93 PTGES (1.00) PTGES
SCHEMBL9946841 0.90 PTGES (1.00) PTGES
SCHEMBL9946690 0.89 PTGES (0.93) PTGES
SCHEMBL9946804 0.88 PTGES (0.91) PTGES
SCHEMBL9946697 0.88 PTGES (1.00) PTGES
SCHEMBL9946646 0.87 PTGES (0.86) PTGES
SCHEMBL9946677 0.86 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