SCHEMBL6544100

SCHEMBL6544100

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccccc2OCc2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
MAPT P10636 3/20 0.40
CYP19A1 P11511 3/20 0.40
CTSV O60911 2/20 0.39
CTSL P07711 2/20 0.39
BACE1 P56817 1/20 0.38
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
BCL2 P10415 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL6543761 0.91 MEN1 (0.40) MEN1KMT2AMAPTCYP19A1CTSV
SCHEMBL6544736 0.90 MEN1 (0.46) MEN1KMT2AMAPTBACE1BCL2
SCHEMBL6703682 0.90 BACE1 (0.46) MEN1KMT2AMAPTBACE1BCL2
SCHEMBL6544794 0.89 BCL2 (0.43) MEN1KMT2AMAPTCTSVCTSL
SCHEMBL6543773 0.88 BCL2 (0.45) MEN1KMT2AMAPTBACE1BCL2
SCHEMBL6543547 0.84 MMP13 (0.39) BCL2ALDH1A1
SCHEMBL3487405 0.84 TBXA2R (0.40) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6544430 0.84 MMP13 (0.42) BCL2ATMALDH1A1
SCHEMBL6544703 0.83 PDCD1 (0.36) MEN1KMT2AMAPTCYP19A1ALDH1A1
SCHEMBL30791427 0.82 MAPT (0.45) MEN1KMT2AMAPTCYP19A1BACE1

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