SCHEMBL24459684

SCHEMBL24459684

COC(=O)c1cccc(CC(=O)c2cc(C)c(N)cc2C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
CYP4F2 P78329 2/20 0.50
CYP4A11 Q02928 2/20 0.50
SLC7A5 Q01650 1/20 0.48
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HPGD P15428 1/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
ATM Q13315 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MRGPRX4 Q96LA9 2/20 0.43
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 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
SCHEMBL20354326 0.76 LOXL2 (0.56) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL10420734 0.76 LOXL2 (0.59) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL31253908 0.75 NPC1 (0.57) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL4237927 0.75 LOXL2 (0.71) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL7168573 0.75 LOXL2 (0.57) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL3625604 0.73 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL2964543 0.73 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL1492405 0.73 LOXL2 (0.68) LOXL2CYP4F2CYP4A11SLC7A5MAPT
SCHEMBL274700 0.73 KDM4E (0.55) MAPTKDM4EALDH1A1GLAGAA
SCHEMBL2711148 0.73 LOXL2 (0.67) LOXL2CYP4F2CYP4A11SLC7A5MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116457340-A Fungicidal aryl amidines 科迪华农业科技有限责任公司 2023-07-18 CN disclosed
WO-2022109361-A1 FUNGICIDAL ARYL AMIDINES CORTEVA AGRISCIENCE LLC (US) 2022-05-27 WO disclosed