SCHEMBL31331860

SCHEMBL31331860

CCN(c1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(=O)oc2c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
AR P10275 7/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
HSD17B10 Q99714 4/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CASP1 P29466 3/20 0.41
CASP7 P55210 3/20 0.41
ATM Q13315 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
SRC P12931 1/20 0.41
TLR9 Q9NR96 1/20 0.41

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
SCHEMBL31331794 0.86 CYP1A2 (0.47) CYP1A1CYP1A2CYP1B1ARALDH1A1
SCHEMBL31331859 0.80 AR (0.45) CYP1A1CYP1A2CYP1B1ARALDH1A1
SCHEMBL31331747 0.78 AR (0.62) CYP1A2ARALDH1A1HPGDHSD17B10
SCHEMBL31331908 0.72 AR (0.43) CYP1A1CYP1A2CYP1B1ARALDH1A1
SCHEMBL31331720 0.71 ALDH1A1 (0.46) CYP1A1CYP1A2CYP1B1ARALDH1A1
SCHEMBL31331936 0.71 AR (0.47) CYP1A1CYP1A2CYP1B1ARALDH1A1
SCHEMBL31331915 0.69 AR (0.61) CYP1A2ARALDH1A1HPGDHSD17B10
SCHEMBL144250 0.67 AR (0.75) CYP1A2ARALDH1A1HPGDHSD17B10
SCHEMBL29551746 0.67 AR (0.75) CYP1A2ARALDH1A1HPGDHSD17B10
SCHEMBL31331897 0.67 AR (0.62) CYP1A1CYP1A2CYP1B1ARALDH1A1

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