SCHEMBL24890658

SCHEMBL24890658

COC(=O)c1ccc([C@H]2C[C@@H]2NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.67
▸ MAOB P27338 2/20 0.59
▸ MAOA P21397 1/20 0.59
▸ KDM4E B2RXH2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ CASP1 P29466 2/20 0.45
▸ CASP7 P55210 2/20 0.45
▸ ATM Q13315 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ TLR2 O60603 8/20 0.45
▸ TLR1 Q15399 8/20 0.45
▸ HTT P42858 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ GLA P06280 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL17002864 1.00 KDM1A (0.67) KDM1AMAOBMAOAKDM4EALDH1A1
SCHEMBL17002866 1.00 KDM1A (0.67) KDM1AMAOBMAOAKDM4EALDH1A1
SCHEMBL17002957 0.88 KDM1A (0.68) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17002703 0.88 KDM1A (0.68) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17003327 0.87 KDM1A (0.61) KDM1AMAOBMAOATLR2TLR1
SCHEMBL17003330 0.87 KDM1A (0.61) KDM1AMAOBMAOATLR2TLR1
SCHEMBL24890660 0.85 KDM1A (0.51) KDM1AMAOBMAOAALDH1A1TLR2
SCHEMBL24890721 0.85 KDM1A (0.51) KDM1AMAOBMAOAALDH1A1TLR2
SCHEMBL24890878 0.85 KDM1A (0.51) KDM1AMAOBMAOAALDH1A1HPGD
SCHEMBL15091433 0.85 KDM1A (0.76) KDM1AMAOBMAOASMN1; SMN2NPSR1

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
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