SCHEMBL9752970

SCHEMBL9752970

CSc1ccc2c(C(C)C)c(C=O)c(-c3ccc(F)cc3)nn12

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.34
PTGS2 P35354 9/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
PTGS1 P23219 2/20 0.32
KMT2A Q03164 1/20 0.32
MAPK14 Q16539 1/20 0.31
KCNK3 O14649 3/20 0.31

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
SCHEMBL9753312 0.89 KDM5B (0.32) KDM5BPTGS2PTGS1
SCHEMBL9753316 0.89 KDM5B (0.32) KDM5BPTGS2PTGS1
SCHEMBL9753416 0.84 POLB (0.37) KDM5BPTGS2ALDH1A1POLBPTGS1
SCHEMBL9752928 0.84 MAPK14 (0.43) KDM5BPTGS2ALDH1A1POLBPTGS1
SCHEMBL9753119 0.83 PTGS2 (0.36) KDM5BPTGS2ALDH1A1POLBPTGS1
SCHEMBL9753114 0.83 MAPK14 (0.42) KDM5BPTGS2ALDH1A1POLBPTGS1
SCHEMBL9753314 0.81 KDM5B (0.34) KDM5BPTGS2ALDH1A1POLBPTGS1
SCHEMBL9753644 0.81 PTGS2 (0.36) KDM5BPTGS2ALDH1A1POLBPTGS1
SCHEMBL9753408 0.81 POLB (0.39) KDM5BPTGS2ALDH1A1POLBMAPK14
SCHEMBL9753720 0.79 GCGR (0.38) KDM5BMAPK14

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