SCHEMBL9904223

SCHEMBL9904223

Cn1c(Nc2cc(CCC(C)(C)[S+](N)[O-])ccc2Cl)nc2cc(Cl)c(N3CCC(C(F)(F)F)CC3)cc21

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTGES O14684 20/20 0.45

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
SCHEMBL9904214 0.93 PTGES (0.42) PTGES
SCHEMBL9900209 0.85 PTGES (0.48) PTGES
SCHEMBL9905785 0.85 PTGES (0.47) PTGES
SCHEMBL16181898 0.81 PTGES (0.48) PTGES
SCHEMBL9904125 0.81 PTGES (0.53) PTGES
SCHEMBL9939980 0.80 PTGES (0.57) PTGES
SCHEMBL9905787 0.80 PTGES (0.50) PTGES
SCHEMBL9939979 0.79 PTGES (0.52) PTGES
SCHEMBL9900181 0.79 PTGES (0.45) PTGES
SCHEMBL9939982 0.78 PTGES (0.44) 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