SCHEMBL31331746

SCHEMBL31331746

CN(Cc1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(=O)oc2c1N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
USP2 O75604 2/20 0.44
HTT P42858 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
GPR35 Q9HC97 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AR P10275 5/20 0.41
CYP1A2 P05177 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NR3C2 P08235 1/20 0.37
CASP1 P29466 2/20 0.36

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
SCHEMBL31331610 0.92 AR (0.40) MEN1KMT2AUSP2HTTKEAP1
SCHEMBL31331859 0.83 AR (0.45) MEN1KMT2AARCYP1A2CYP1A1
SCHEMBL31331908 0.82 AR (0.43) MEN1KMT2AARCYP1A2CYP1A1
SCHEMBL31331847 0.73 AR (0.59) MEN1KMT2AARALDH1A1HPGD
SCHEMBL31331794 0.69 CYP1A2 (0.47) MEN1KMT2AARCYP1A2CYP1A1
SCHEMBL31331778 0.69 AR (0.42) ARDAO
SCHEMBL31331858 0.68 GAA (0.49) MEN1KMT2ACYP1A2CYP1A1CYP1B1
SCHEMBL31331828 0.68 AR (0.43) ARALDH1A1HPGDHSD17B10NR3C2
SCHEMBL31331860 0.66 CYP1A1 (0.44) MEN1KMT2AHTTTDP1AR
SCHEMBL31331915 0.65 AR (0.61) MEN1KMT2ATDP1ARCYP1A2

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