SCHEMBL31331641

SCHEMBL31331641

CN(Cc1ccc(F)cc1)c1ccc2c3c(c(=O)oc2c1)CCC3

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
BCHE P06276 2/20 0.49
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
HPGD P15428 6/20 0.48
HSD17B10 Q99714 6/20 0.48
TSHR P16473 4/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
CASP1 P29466 2/20 0.48
CASP7 P55210 2/20 0.48
MAOA P21397 1/20 0.48
DRD2 P14416 2/20 0.47
DRD4 P21917 2/20 0.47
DRD3 P35462 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
MAOB P27338 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL31331730 0.99 ACHE (0.51) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL14437119 0.80 ALDH1A1 (0.54) ACHEBCHEKDM4EALDH1A1HPGD
SCHEMBL194522 0.79 MAOA (0.61) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL31331645 0.79 IGLV6-57 (0.66) ACHEKDM4EALDH1A1HPGDHSD17B10
SCHEMBL31331847 0.74 AR (0.59) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL31331621 0.72 MAOA (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL31331835 0.72 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL17701066 0.70 SLC16A3 (0.81) KDM4EALDH1A1HPGDHSD17B10CYP1A2
SCHEMBL7532636 0.69 ALDH1A1 (0.67) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL30093228 0.68 ESR1 (0.52) ALDH1A1TDP1

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