SCHEMBL31331859

SCHEMBL31331859

CN(Cc1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(=O)oc2c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.45
CYP1A1 P04798 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP1B1 Q16678 2/20 0.44
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
SRC P12931 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL31331858 0.85 GAA (0.49) CYP1A1CYP1A2CYP1B1ALDH1A1HPGD
SCHEMBL31331908 0.84 AR (0.43) ARCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL31331794 0.84 CYP1A2 (0.47) ARCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL31331746 0.83 MEN1 (0.44) ARCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL31331610 0.81 AR (0.40) ARCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL31331860 0.80 CYP1A1 (0.44) ARCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL31331778 0.79 AR (0.42) ARDAO
SCHEMBL31331847 0.76 AR (0.59) ARALDH1A1HPGDHSD17B10KDM4E
SCHEMBL31331936 0.76 AR (0.47) ARCYP1A1CYP1A2CYP1B1ALDH1A1
SCHEMBL31331720 0.71 ALDH1A1 (0.46) ARCYP1A1CYP1A2CYP1B1ALDH1A1

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