SCHEMBL31331699

SCHEMBL31331699

Cn1c(=O)cc(C(F)(F)F)c2ccc(N)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 17/20 0.53
GAA P10253 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 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
BRPF1 P55201 1/20 0.46
PGR P06401 7/20 0.46
NR3C1 P04150 1/20 0.43
NR3C2 P08235 1/20 0.43
GLA P06280 1/20 0.42
POLB P06746 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
SCHEMBL6077653 0.87 AR (0.52) ARGAAKDM4EMEN1ALDH1A1
SCHEMBL1772049 0.78 KDM4E (0.64) ARGAAKDM4EALDH1A1HPGD
SCHEMBL6608635 0.78 AR (0.47) ARGAAKDM4EMEN1ALDH1A1
SCHEMBL1771172 0.78 AR (0.54) ARPGRNR3C1NR3C2
SCHEMBL30901341 0.78 KDM4E (0.61) ARKDM4EHPGDATMHSD17B10
SCHEMBL5865925 0.78 KDM4E (0.61) ARKDM4EHPGDATMHSD17B10
SCHEMBL2358278 0.78 NQO2 (0.61) GAAKDM4EMEN1ALDH1A1HPGD
SCHEMBL1771492 0.77 AR (0.46) ARPGRNR3C1NR3C2
SCHEMBL29976260 0.76 AR (0.41) ARGAAKDM4EMEN1ALDH1A1
SCHEMBL1773043 0.74 KDM4E (0.48) ARGAAKDM4EALDH1A1HPGD

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