SCHEMBL9904214

SCHEMBL9904214

Cn1c(Nc2cc(CCC(C)(C)[S+](N)[O-])ccc2C(F)(F)F)nc2cc(Cl)c(N3CCC(C(F)(F)F)CC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.42

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
SCHEMBL9904223 0.93 PTGES (0.45) PTGES
SCHEMBL9900181 0.86 PTGES (0.45) PTGES
SCHEMBL9939982 0.85 PTGES (0.44) PTGES
SCHEMBL9941975 0.84 PTGES (0.46) PTGES
SCHEMBL9939937 0.81 PTGES (0.53) PTGES
SCHEMBL9939942 0.81 PTGES (0.59) PTGES
SCHEMBL9905788 0.81 PTGES (0.47) PTGES
SCHEMBL9939848 0.81 PTGES (0.52) PTGES
SCHEMBL9939940 0.80 PTGES (0.49) PTGES
SCHEMBL9941998 0.80 PTGES (0.51) 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-A1 2 -AMINOBENZ IMIDAZOLE DERIVATIVES USEFUL IN THE TREATMENT OF INFLAMMATION Boehringer Ingelheim International GmbH (DE) 2013-10-16 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