SCHEMBL31331828

SCHEMBL31331828

CN(Cc1ccc(F)cc1)c1ccc2c(C(F)(F)F)cc(=O)n(C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.43
PGR P06401 6/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DAO P14920 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL1772049 0.80 KDM4E (0.64) ARPGRKDM4EALDH1A1HPGD
SCHEMBL31331847 0.77 AR (0.59) ARKDM4EALDH1A1HPGDHSD17B10
SCHEMBL1773043 0.75 KDM4E (0.48) ARPGRKDM4EALDH1A1HPGD
SCHEMBL31331911 0.73 AR (0.43) ARPGRSMN1; SMN2NR3C1NR3C2
SCHEMBL31331778 0.70 AR (0.42) ARDAO
SCHEMBL21957297 0.70 AR (0.50) ARPGRNR3C1NR3C2
SCHEMBL21957305 0.69 AR (0.54) ARPGRKDM4EALDH1A1HPGD
SCHEMBL31331699 0.69 AR (0.53) ARPGRKDM4EALDH1A1HPGD
SCHEMBL30093228 0.68 ESR1 (0.52) ALDH1A1DAO
SCHEMBL31331859 0.68 AR (0.45) ARKDM4EALDH1A1HPGDHSD17B10

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