SCHEMBL31331847

SCHEMBL31331847

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

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.59
HSD17B3 P37058 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
SRC P12931 1/20 0.49
HPGD P15428 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TLR9 Q9NR96 1/20 0.49
MAOB P27338 1/20 0.47
IGLV6-57 P01721 1/20 0.46
MAP2K1 Q02750 1/20 0.46
AGER Q15109 1/20 0.44

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
SCHEMBL31331920 0.90 AR (0.59) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331864 0.90 AR (0.59) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331915 0.87 AR (0.61) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331873 0.86 AR (0.57) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331686 0.85 AR (0.59) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331728 0.85 AR (0.56) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331645 0.84 IGLV6-57 (0.66) HSD17B3KDM4EMEN1ALDH1A1GAA
SCHEMBL31331897 0.84 AR (0.62) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331764 0.83 AR (0.59) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331743 0.83 AR (0.56) ARHSD17B3KDM4EMEN1ALDH1A1

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