SCHEMBL9753671

SCHEMBL9753671

Cc1cc(C)n2nc(-c3ccc(F)cc3)c(/C=C/C=O)c(C(C)C)c12

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.37
KDM5B Q9UGL1 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK14 Q16539 1/20 0.32
TSPO P30536 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
GABRA5 P31644 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
SCHEMBL9753676 1.00 PTGS2 (0.37) PTGS2KDM5BNPC1RAB9ASMN1; SMN2
SCHEMBL9752971 0.89 PTGS2 (0.39) PTGS2KDM5BNPC1RAB9ASMN1; SMN2
SCHEMBL9753037 0.88 AKT1 (0.36) PTGS2NPC1KMT2A
SCHEMBL9753035 0.88 AKT1 (0.36) PTGS2NPC1KMT2A
SCHEMBL9753682 0.82 MAPK14 (0.40) PTGS2KDM5BMAPK14KMT2A
SCHEMBL9753686 0.82 MAPK14 (0.40) PTGS2KDM5BMAPK14KMT2A
SCHEMBL9753008 0.82 PTGS2 (0.32) PTGS2KDM5BMAPK14KMT2A
SCHEMBL9753006 0.82 PTGS2 (0.32) PTGS2KDM5BMAPK14KMT2A
SCHEMBL9753707 0.81 GCGR (0.36) PTGS2NPC1RAB9ASMN1; SMN2MAPK14
SCHEMBL9753703 0.81 GCGR (0.36) PTGS2NPC1RAB9ASMN1; SMN2MAPK14

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 2 patents. 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
CN-1056690-A PYRROLOPYRIDAZINE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-04 CN disclosed