SCHEMBL9947111

SCHEMBL9947111

Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(N3CCC(F)(F)CC3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 1.00

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
SCHEMBL9946626 1.00 PTGES (1.00) PTGES
SCHEMBL9898134 0.96 PTGES (1.00) PTGES
SCHEMBL9898138 0.96 PTGES (1.00) PTGES
SCHEMBL9946742 0.95 PTGES (1.00) PTGES
SCHEMBL9899316 0.94 PTGES (1.00) PTGES
SCHEMBL9899317 0.94 PTGES (1.00) PTGES
SCHEMBL9946664 0.94 PTGES (1.00) PTGES
SCHEMBL9946901 0.94 PTGES (1.00) PTGES
SCHEMBL9946707 0.94 PTGES (1.00) PTGES
SCHEMBL9946644 0.93 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