SCHEMBL6544387

SCHEMBL6544387

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccccc2-c2ccccc2)ccc1N

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
BRD4 O60885 3/20 0.38
AR P10275 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
TSPO P30536 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 1/20 0.35
SCN9A Q15858 3/20 0.35
CREBBP Q92793 1/20 0.35
PTGS2 P35354 1/20 0.35
FEN1 P39748 1/20 0.35
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
FFAR1 O14842 1/20 0.34
PDK2 Q15119 1/20 0.34

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
SCHEMBL6543998 0.86 MMP13 (0.39) BRD4FFAR4SCN9AFFAR1
SCHEMBL27782470 0.85 HPGD (0.39) ARTSPOALDH1A1SMN1; SMN2PTGS2
SCHEMBL6543795 0.85 AR (0.36) BRD4ARTSPOALDH1A1PDK2
SCHEMBL6543768 0.85 MMP13 (0.43) TSPOKDM4EALDH1A1SMN1; SMN2PTGS2
SCHEMBL6544573 0.84 FFAR1 (0.40) BRD4FFAR4SCN9AFFAR1
SCHEMBL6544703 0.83 PDCD1 (0.36) NCOA1NCOA3BRD4ARFFAR4
SCHEMBL6543585 0.80 GAA (0.37) KDM4EALDH1A1
SCHEMBL6544191 0.79 GAA (0.39) KDM4EALDH1A1SMN1; SMN2
SCHEMBL28786462 0.79 CARM1 (0.37)
SCHEMBL6543664 0.79 SRD5A2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed