SCHEMBL9753389

SCHEMBL9753389

CC(C)c1c(/C=C/C=O)c(-c2ccc(F)cc2)nn2c(C(C)(C)C)ccc12

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.32
PTGS2 P35354 3/20 0.31
PTGS1 P23219 1/20 0.30

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
SCHEMBL9753392 1.00 KDM5B (0.32) KDM5BPTGS2PTGS1
SCHEMBL9753314 0.89 KDM5B (0.34) KDM5BPTGS2PTGS1
SCHEMBL9752989 0.86 KDM5B (0.34) KDM5BPTGS2PTGS1
SCHEMBL9752990 0.86 KDM5B (0.34) KDM5BPTGS2PTGS1
SCHEMBL9753686 0.86 MAPK14 (0.40) KDM5BPTGS2PTGS1
SCHEMBL9753682 0.86 MAPK14 (0.40) KDM5BPTGS2PTGS1
SCHEMBL9753463 0.85 PTGS2 (0.34) KDM5BPTGS2PTGS1
SCHEMBL9753228 0.85 MAPK14 (0.39) KDM5BPTGS2PTGS1
SCHEMBL9753226 0.85 MAPK14 (0.39) KDM5BPTGS2PTGS1
SCHEMBL9753466 0.85 PTGS2 (0.34) KDM5BPTGS2PTGS1

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-1991018903-A1 PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-12 WO disclosed