SCHEMBL31331736

SCHEMBL31331736

O=c1cc(C(F)(F)F)c2ccc(NCCc3ccc(F)cc3)cc2o1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.66
MAP2K1 Q02750 1/20 0.55
CA12 O43570 1/20 0.52
CA9 Q16790 1/20 0.52
ALDH1A1 P00352 2/20 0.50
HSD17B3 P37058 1/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50
SRC P12931 1/20 0.50
HPGD P15428 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
KMT2A Q03164 1/20 0.50
ATM Q13315 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TLR9 Q9NR96 1/20 0.50
MAOB P27338 1/20 0.47

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
SCHEMBL31331937 0.82 AR (0.64) ARMAP2K1CA12CA9ALDH1A1
SCHEMBL145055 0.80 AR (0.76) ARMAP2K1CA12CA9ALDH1A1
SCHEMBL29456888 0.80 AR (0.76) ARMAP2K1CA12CA9ALDH1A1
SCHEMBL7603990 0.79 AR (0.70) ARMAP2K1CA12CA9ALDH1A1
SCHEMBL28440087 0.79 AR (0.66) ARMAP2K1ALDH1A1HSD17B3KDM4E
SCHEMBL29724471 0.79 AR (0.66) ARMAP2K1ALDH1A1HSD17B3KDM4E
SCHEMBL11446677 0.78 AR (0.69) ARMAP2K1CA12CA9ALDH1A1
SCHEMBL29724640 0.76 AR (0.61) ARMAP2K1ALDH1A1HSD17B3KDM4E
SCHEMBL28896780 0.76 AR (0.61) ARMAP2K1ALDH1A1HSD17B3KDM4E
SCHEMBL7560587 0.75 MAP2K1 (0.71) ARMAP2K1CA12CA9ALDH1A1

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