SCHEMBL9753366

SCHEMBL9753366

CC(C)c1c(C=CC=O)c(-c2ccc(F)cc2)nn2c(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL9753358 1.00 GABBR2 (0.34) GABBR2GABBR1PTGS1PTGS2
SCHEMBL9753039 0.91 PTGS1 (0.33) PTGS1PTGS2
SCHEMBL9753395 0.83 DHODH (0.36) PTGS1PTGS2
SCHEMBL9753328 0.82 PTGS1 (0.32) PTGS1PTGS2
SCHEMBL9753316 0.81 KDM5B (0.32) PTGS1PTGS2
SCHEMBL9753312 0.81 KDM5B (0.32) PTGS1PTGS2
SCHEMBL9753389 0.79 KDM5B (0.32) PTGS1PTGS2
SCHEMBL9753392 0.79 KDM5B (0.32) PTGS1PTGS2
SCHEMBL9752989 0.76 KDM5B (0.34) PTGS1PTGS2
SCHEMBL9753682 0.76 MAPK14 (0.40) PTGS1PTGS2

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