SCHEMBL31331728

SCHEMBL31331728

CC(C)N(Cc1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.56
IGLV6-57 P01721 1/20 0.49
HSD17B3 P37058 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
SRC P12931 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TLR9 Q9NR96 1/20 0.46
MAOB P27338 1/20 0.44
MAP2K1 Q02750 1/20 0.43
AGER Q15109 1/20 0.42

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
SCHEMBL31331847 0.85 AR (0.59) ARIGLV6-57HSD17B3KDM4EMEN1
SCHEMBL31331915 0.84 AR (0.61) ARIGLV6-57HSD17B3KDM4EMEN1
SCHEMBL31331686 0.83 AR (0.59) ARIGLV6-57HSD17B3KDM4EMEN1
SCHEMBL31331747 0.81 AR (0.62) ARIGLV6-57HSD17B3KDM4EMEN1
SCHEMBL31331764 0.80 AR (0.59) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331743 0.80 AR (0.56) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL24803039 0.80 AR (0.67) ARIGLV6-57HSD17B3KDM4EMEN1
SCHEMBL31331897 0.79 AR (0.62) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331800 0.79 AR (0.54) ARHSD17B3KDM4EMEN1ALDH1A1
SCHEMBL31331771 0.78 AR (0.53) 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