SCHEMBL6543773

SCHEMBL6543773

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(-c3ccc(OCc4ccccc4)cc3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 4/20 0.45
MCL1 Q07820 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 3/20 0.42
ACACB O00763 1/20 0.42
PPARG P37231 1/20 0.41
PTGES O14684 1/20 0.40
LMNA P02545 1/20 0.40
BACE1 P56817 1/20 0.40
AR P10275 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
SCHEMBL6544736 0.97 MEN1 (0.46) BCL2MCL1MEN1KMT2ANPC1
SCHEMBL6544794 0.92 BCL2 (0.43) BCL2MEN1KMT2ANPC1RAB9A
SCHEMBL6703682 0.91 BACE1 (0.46) BCL2MCL1MEN1KMT2ANPC1
SCHEMBL6544272 0.90 MMP13 (0.38) BCL2MCL1MEN1KMT2AMAPT
SCHEMBL6544100 0.88 MEN1 (0.40) BCL2MEN1KMT2ANPC1RAB9A
SCHEMBL6543547 0.88 MMP13 (0.39) BCL2ACACBLMNA
SCHEMBL6544430 0.87 MMP13 (0.42) BCL2ATM
SCHEMBL6543761 0.85 MEN1 (0.40) BCL2MEN1KMT2ANPC1RAB9A
SCHEMBL6544022 0.84 ALOX5 (0.42) BCL2NPC1RAB9A
SCHEMBL30791427 0.83 MAPT (0.45) BCL2MCL1MEN1KMT2ANPC1

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