SCHEMBL6544736

SCHEMBL6544736

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(OCc3ccccc3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
ATM Q13315 1/20 0.46
BCL2 P10415 2/20 0.46
MAPT P10636 5/20 0.44
PPARG P37231 1/20 0.43
LMNA P02545 1/20 0.42
AR P10275 1/20 0.41
BACE1 P56817 1/20 0.41
MCL1 Q07820 1/20 0.41
ALOX5 P09917 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL6543773 0.97 BCL2 (0.45) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL6544794 0.94 BCL2 (0.43) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL6703682 0.94 BACE1 (0.46) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL6544100 0.90 MEN1 (0.40) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL6543547 0.90 MMP13 (0.39) BCL2LMNASMN1; SMN2ALDH1A1
SCHEMBL6544430 0.90 MMP13 (0.42) ATMBCL2SMN1; SMN2ALDH1A1
SCHEMBL6543761 0.87 MEN1 (0.40) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL6544272 0.87 MMP13 (0.38) MEN1KMT2ABCL2MAPTMCL1
SCHEMBL30791427 0.86 MAPT (0.45) MEN1KMT2ARAB9ANPC1ATM
SCHEMBL14855362 0.85 PPARG (0.35) MEN1KMT2ARAB9ANPC1BCL2

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