SCHEMBL31331645

SCHEMBL31331645

Cc1cc(=O)oc2cc(N(C)Cc3ccc(F)cc3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGLV6-57 P01721 6/20 0.66
ALDH1A1 P00352 4/20 0.60
GLA P06280 4/20 0.60
HPGD P15428 3/20 0.60
CASP1 P29466 3/20 0.60
CASP7 P55210 3/20 0.60
HSD17B10 Q99714 3/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
ATM Q13315 1/20 0.60
HIF1A Q16665 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ACHE P22303 4/20 0.48
MAOB P27338 3/20 0.48
MAOA P21397 1/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 3/20 0.48
POLB P06746 1/20 0.48
PKM P14618 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48

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
SCHEMBL31331966 0.86 ALDH1A1 (0.74) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL31331847 0.84 AR (0.59) IGLV6-57ALDH1A1HPGDCASP1CASP7
SCHEMBL22416802 0.80 IGLV6-57 (1.00) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL31331730 0.80 ACHE (0.51) ALDH1A1GLAHPGDCASP1CASP7
SCHEMBL31331641 0.79 ACHE (0.50) ALDH1A1GLAHPGDCASP1CASP7
SCHEMBL22501571 0.78 IGLV6-57 (0.79) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL22501839 0.77 IGLV6-57 (0.69) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL29401382 0.76 IGLV6-57 (0.72) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL67970 0.76 IGLV6-57 (0.72) IGLV6-57ALDH1A1GLAHPGDCASP1
SCHEMBL19194216 0.76 ALDH1A1 (0.64) IGLV6-57ALDH1A1GLAHPGDCASP1

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