SCHEMBL9753114

SCHEMBL9753114

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.42
PTGS2 P35354 12/20 0.36
KMT2A Q03164 1/20 0.36
PTGS1 P23219 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9753226 0.89 MAPK14 (0.39) MAPK14PTGS2KMT2APTGS1KDM5B
SCHEMBL9753228 0.89 MAPK14 (0.39) MAPK14PTGS2KMT2APTGS1KDM5B
SCHEMBL9752928 0.86 MAPK14 (0.43) MAPK14PTGS2KMT2APTGS1KDM5B
SCHEMBL9753416 0.86 POLB (0.37) MAPK14PTGS2KMT2APTGS1KDM5B
SCHEMBL9753119 0.85 PTGS2 (0.36) PTGS2KMT2APTGS1KDM5BALDH1A1
SCHEMBL9753314 0.83 KDM5B (0.34) MAPK14PTGS2KMT2APTGS1KDM5B
SCHEMBL9752970 0.83 KDM5B (0.34) MAPK14PTGS2KMT2APTGS1KDM5B
SCHEMBL9753644 0.83 PTGS2 (0.36) MAPK14PTGS2KMT2APTGS1KDM5B
SCHEMBL9753408 0.82 POLB (0.39) MAPK14PTGS2KDM5BALDH1A1POLB
SCHEMBL9753345 0.81 PTGS2 (0.33) PTGS2KMT2APTGS1KDM5BALDH1A1

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