SCHEMBL6544083

SCHEMBL6544083

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MYOC Q99972 1/20 0.40
NPY5R Q15761 2/20 0.39
SIRT6 Q8N6T7 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRMT1 Q99873 1/20 0.39

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
SCHEMBL6544088 1.00 MEN1 (0.42) MEN1KMT2ALMNAPOLBMMP1
SCHEMBL3244124 0.92 MEN1 (0.42) MEN1KMT2ALMNAPOLBMMP1
SCHEMBL6544361 0.87 ALDH1A1 (0.34) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL6544355 0.87 ALDH1A1 (0.34) MEN1KMT2ALMNAMAPTNPC1
SCHEMBL3245632 0.83 MEN1 (0.42) MEN1KMT2ALMNAPOLBMMP1
SCHEMBL3486663 0.80 ALDH1A1 (0.45) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL3486660 0.80 ALDH1A1 (0.45) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL3488424 0.80 MERTK (0.44) MEN1KMT2ALMNAPOLBMAPT
SCHEMBL6544430 0.79 MMP13 (0.42) MMP13NPSR1NPY5RSIRT6SMN1; SMN2
SCHEMBL3243692 0.79 ALDH1A1 (0.34) LMNAMAPTNPC1RAB9A

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