SCHEMBL24890887

SCHEMBL24890887

COC(=O)c1ccc(NC(=O)OCc2ccc(C3CC3NC3COC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.48
RCOR1 Q9UKL0 7/20 0.48
MAOA P21397 6/20 0.48
MAOB P27338 5/20 0.48
NAMPT P43490 1/20 0.43
NPC1 O15118 1/20 0.42
CASP1 P29466 1/20 0.42
RAB9A P51151 1/20 0.42
KDM1B Q8NB78 4/20 0.42
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL24890657 0.82 KDM1A (0.56) KDM1ARCOR1MAOAMAOBKDM1B
SCHEMBL24890734 0.82 KDM1A (0.56) KDM1ARCOR1MAOAMAOBKDM1B
SCHEMBL24890879 0.81 KDM1A (0.72) KDM1ARCOR1MAOAMAOBKDM1B
SCHEMBL24890878 0.80 KDM1A (0.51) KDM1ARCOR1MAOAMAOBNAMPT
SCHEMBL24890799 0.78 HRH3 (0.53) KDM1ARCOR1MAOAMAOBNAMPT
SCHEMBL24890722 0.76 KDM1A (0.53) KDM1ARCOR1MAOAMAOBKDM1B
SCHEMBL24890964 0.75 KDM1A (0.51) KDM1AMAOAMAOBNPC1CASP1
SCHEMBL24890908 0.75 KDM1A (0.44) KDM1ARCOR1MAOAMAOBNAMPT
SCHEMBL24890538 0.73 KDM1A (0.55) KDM1ARCOR1MAOAMAOBKDM1B
SCHEMBL12348789 0.72 RAB9A (0.65) KDM1ARCOR1MAOAMAOBNAMPT

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
WO-2023284651-A1 N-(2-AMINOPHENYL)BENZAMIDE COMPOUND AND APPLICATION THEREOF 南京明德新药研发有限公司 2023-01-19 WO disclosed