SCHEMBL31331966

SCHEMBL31331966

CCN(Cc1ccc(F)cc1)c1ccc2c(C)cc(=O)oc2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.74
GLA P06280 7/20 0.74
IGLV6-57 P01721 6/20 0.74
HPGD P15428 5/20 0.74
CASP1 P29466 4/20 0.74
CASP7 P55210 4/20 0.74
HSD17B10 Q99714 4/20 0.74
L3MBTL1 Q9Y468 3/20 0.74
ATM Q13315 3/20 0.74
CYP3A4 P08684 2/20 0.74
MAPK1 P28482 2/20 0.74
HIF1A Q16665 1/20 0.74
KDM4E B2RXH2 7/20 0.54
TDP1 Q9NUW8 4/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2D6 P10635 1/20 0.54

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
SCHEMBL22501783 0.89 IGLV6-57 (0.76) ALDH1A1GLAIGLV6-57HPGDCASP1
SCHEMBL31331645 0.86 IGLV6-57 (0.66) ALDH1A1GLAIGLV6-57HPGDCASP1
SCHEMBL67108 0.86 ALDH1A1 (1.00) ALDH1A1GLAIGLV6-57HPGDCASP1
SCHEMBL384286 0.86 ALDH1A1 (1.00) ALDH1A1GLAIGLV6-57HPGDCASP1
SCHEMBL29362472 0.86 ALDH1A1 (1.00) ALDH1A1GLAIGLV6-57HPGDCASP1
SCHEMBL31331915 0.85 AR (0.61) ALDH1A1GLAIGLV6-57HPGDCASP1
SCHEMBL22501531 0.81 IGLV6-57 (1.00) ALDH1A1GLAIGLV6-57HPGDCASP1
SCHEMBL22501628 0.80 IGLV6-57 (0.82) ALDH1A1GLAIGLV6-57HPGDCASP1
Sulfuric Acid SCHEMBL25246703 0.79 ALDH1A1 (0.84) ALDH1A1GLAIGLV6-57HPGDCASP1
Sulfuric Acid SCHEMBL31121932 0.79 ALDH1A1 (0.84) ALDH1A1GLAIGLV6-57HPGDCASP1

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
CN-119285594-A 7-Aminobenzopyrone or 7-aminoquinolinone compound and application thereof 浙江大学金华研究院 2025-01-10 CN disclosed