SCHEMBL9753686

SCHEMBL9753686

Cc1ccc2c(C(C)C)c(C=CC=O)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.40
PTGS2 P35354 8/20 0.36
KDM5B Q9UGL1 1/20 0.34
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.32
CSNK1A1 P48729 1/20 0.31
CSNK1D P48730 1/20 0.31
CSNK1E P49674 1/20 0.31
KCNK3 O14649 3/20 0.30
POLB P06746 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
SCHEMBL9753682 1.00 MAPK14 (0.40) MAPK14PTGS2KDM5BKMT2APTGS1
SCHEMBL9752989 0.89 KDM5B (0.34) MAPK14PTGS2KDM5BPTGS1KCNK3
SCHEMBL9752990 0.89 KDM5B (0.34) MAPK14PTGS2KDM5BPTGS1KCNK3
SCHEMBL9752928 0.88 MAPK14 (0.43) MAPK14PTGS2KDM5BKMT2APTGS1
SCHEMBL9753463 0.88 PTGS2 (0.34) MAPK14PTGS2KDM5BPTGS1KCNK3
SCHEMBL9753228 0.88 MAPK14 (0.39) MAPK14PTGS2KDM5BKMT2APTGS1
SCHEMBL9753226 0.88 MAPK14 (0.39) MAPK14PTGS2KDM5BKMT2APTGS1
SCHEMBL9753466 0.88 PTGS2 (0.34) MAPK14PTGS2KDM5BPTGS1KCNK3
SCHEMBL9753316 0.86 KDM5B (0.32) PTGS2KDM5BPTGS1
SCHEMBL27348769 0.86 PTGS2 (0.34) MAPK14PTGS2KDM5BKMT2APTGS1

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