SCHEMBL9939857

SCHEMBL9939857

CC(C(=O)NCc1ccc(Cl)c(Nc2nc3cc(Cl)c(N4CCCC(C(F)(F)F)C4)cc3n2C)c1Cl)C(F)(F)F

nearest known ligand 0.65

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.65

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
SCHEMBL9939860 0.95 PTGES (0.67) PTGES
SCHEMBL9939840 0.94 PTGES (0.66) PTGES
SCHEMBL9939900 0.93 PTGES (0.65) PTGES
SCHEMBL9939838 0.93 PTGES (0.67) PTGES
SCHEMBL9939929 0.90 PTGES (0.64) PTGES
SCHEMBL9939915 0.90 PTGES (0.64) PTGES
SCHEMBL9939930 0.90 PTGES (0.64) PTGES
SCHEMBL9939904 0.90 PTGES (0.68) PTGES
SCHEMBL9939908 0.90 PTGES (0.63) PTGES
SCHEMBL9939828 0.89 PTGES (0.80) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649052-B1 2-AMINOBENZIMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INT (DE) 2014-10-22 EP disclosed
WO-2012076672-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 WO disclosed