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SCHEMBL24890657

SCHEMBL24890657

Nc1ccccc1NC(=O)c1ccc(NC(=O)OCc2ccc(C3C[C@@H]3NC3COC3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 19/20 0.56
▸ RCOR1 Q9UKL0 8/20 0.56
▸ MAOA P21397 7/20 0.54
▸ HDAC1 Q13547 4/20 0.54
▸ HDAC2 Q92769 2/20 0.54
▸ HDAC3 O15379 1/20 0.51
▸ MAOB P27338 5/20 0.49
▸ KDM1B Q8NB78 4/20 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
SCHEMBL24890734 1.00 KDM1A (0.56) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890722 0.94 KDM1A (0.53) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890529 0.92 KDM1A (0.55) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890655 0.92 KDM1A (0.55) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890538 0.92 KDM1A (0.55) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890762 0.92 KDM1A (0.55) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890749 0.92 KDM1A (0.55) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890731 0.88 KDM1A (0.57) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890682 0.88 KDM1A (0.57) KDM1ARCOR1MAOAHDAC1HDAC2
SCHEMBL24890848 0.85 KDM1A (0.77) KDM1ARCOR1MAOAHDAC1HDAC2

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