SCHEMBL9752936

SCHEMBL9752936

CCOC(=O)c1c(-c2ccc(F)cc2)nn2c(C)cc(C)c2c1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 7/20 0.44
HPGD P15428 6/20 0.44
HSD17B10 Q99714 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
DGAT1 O75907 1/20 0.42
SOAT1 P35610 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.40
GRM6 O15303 1/20 0.39
PRKCZ Q05513 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL9753066 0.88 DGAT1 (0.46) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL27352605 0.86 KDM4E (0.38) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9752966 0.84 DGAT1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9753077 0.83 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9752976 0.83 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9752981 0.82 DGAT1 (0.40) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9753107 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9753668 0.78 GRM6 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2
SCHEMBL9753293 0.78 GCGR (0.41) SMN1; SMN2NPC1RAB9APTGS2
SCHEMBL9752984 0.78 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDHSD17B10SMN1; SMN2

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