SCHEMBL4786495

SCHEMBL4786495

Nc1ccc(F)cc1NC(=O)c1ccc(-c2nc(-c3c(F)cccc3Cl)[nH]c2Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.47
HDAC2 Q92769 8/20 0.44
HDAC1 Q13547 7/20 0.44
PRSS12 P56730 1/20 0.41
HDAC3 O15379 2/20 0.39

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
SCHEMBL4784998 0.92 PTGES (0.45) PTGESHDAC2HDAC1PRSS12HDAC3
SCHEMBL4847730 0.91 PTGES (0.45) PTGESHDAC2HDAC1PRSS12
SCHEMBL4786533 0.86 PTGES (0.45) PTGESHDAC1PRSS12
SCHEMBL4786443 0.84 PTGES (0.44) PTGESHDAC1PRSS12
SCHEMBL4786434 0.82 PTGES (0.44) PTGESPRSS12
SCHEMBL4786267 0.80 PTGES (0.58) PTGES
SCHEMBL4786016 0.79 PTGES (0.44) PTGESHDAC2HDAC1PRSS12HDAC3
SCHEMBL3796343 0.79 PTGES (0.42) PTGESHDAC2HDAC1HDAC3
SCHEMBL4785770 0.79 PTGES (0.42) PTGESPRSS12
SCHEMBL4785278 0.78 PTGES (0.52) 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-2008084218-A1 BENZAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-17 WO disclosed