SCHEMBL9753231

SCHEMBL9753231

CC(C)c1c(/C=C/C=O)c(-c2ccc(F)cc2)nn2ccc(Cl)c12

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.33
PTGS2 P35354 3/20 0.33
KDM5B Q9UGL1 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL9753232 1.00 MAPK14 (0.33) MAPK14PTGS2KDM5BKMT2A
SCHEMBL9753384 0.89 ALDH1A1 (0.36) MAPK14PTGS2KDM5BKMT2A
SCHEMBL9753008 0.82 PTGS2 (0.32) MAPK14PTGS2KDM5BKMT2A
SCHEMBL9753006 0.82 PTGS2 (0.32) MAPK14PTGS2KDM5BKMT2A
SCHEMBL9753157 0.80 MAPK14 (0.41) MAPK14PTGS2KDM5BKMT2A
SCHEMBL9753160 0.80 MAPK14 (0.41) MAPK14PTGS2KDM5BKMT2A
SCHEMBL9752987 0.78 HMGCR (0.40)
SCHEMBL9752988 0.78 HMGCR (0.40)
SCHEMBL9753324 0.77 HMGCR (0.51) PTGS2
SCHEMBL9753226 0.77 MAPK14 (0.39) MAPK14PTGS2KDM5BKMT2A

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