SCHEMBL24890879

SCHEMBL24890879

COC(=O)c1ccc(NC(=O)OCc2ccc([C@@H]3C[C@H]3N)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 19/20 0.72
MAOA P21397 14/20 0.72
MAOB P27338 7/20 0.72
RCOR1 Q9UKL0 11/20 0.71
KDM1B Q8NB78 6/20 0.60
KDM4E B2RXH2 1/20 0.51
KDM6B O15054 1/20 0.51
KDM5C P41229 1/20 0.51
KDM4C Q9H3R0 1/20 0.51
KDM2A Q9Y2K7 1/20 0.51
KDM3A Q9Y4C1 1/20 0.51

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
SCHEMBL24890799 0.84 HRH3 (0.53) KDM1AMAOAMAOBRCOR1KDM4E
SCHEMBL30816679 0.84 KDM1A (1.00) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL2561238 0.84 KDM1A (1.00) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL24890887 0.81 KDM1A (0.48) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL24890878 0.81 KDM1A (0.51) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL24890834 0.81 KDM4E (0.55) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL24890814 0.81 KDM4E (0.55) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL24890607 0.80 KDM1A (0.77) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL24890848 0.80 KDM1A (0.77) KDM1AMAOAMAOBRCOR1KDM1B
SCHEMBL24890499 0.80 KDM1A (0.77) KDM1AMAOAMAOBRCOR1KDM1B

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