SCHEMBL6543530

SCHEMBL6543530

CN(C(=O)OC(C)(C)C)c1cc(Oc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GALR3 O60755 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NR1H4 Q96RI1 3/20 0.36
ESRRA P11474 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
GAA P10253 1/20 0.32
GPR35 Q9HC97 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
HCAR3 P49019 1/20 0.30

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
SCHEMBL6543810 0.92 ESRRA (0.46) HTTL3MBTL1NR1H4ESRRAALDH1A1
SCHEMBL6543839 0.85 MAPT (0.40) HTTSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6544749 0.85 ALDH1A1 (0.38) HTTSMN1; SMN2MEN1KMT2ANR1H4
SCHEMBL6544430 0.84 MMP13 (0.42) SMN1; SMN2ALDH1A1NPSR1
SCHEMBL6543570 0.84 MERTK (0.40) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3487495 0.84 ALDH1A1 (0.41) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL6543834 0.84 NR1H4 (0.35) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL27939756 0.84 KMT2A (0.39) HTTSMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL3241737 0.83 MEN1 (0.38) HTTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL6543994 0.82 ESRRA (0.39) HTTSMN1; SMN2MEN1KMT2AGALR3

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