SCHEMBL6544544

SCHEMBL6544544

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TTR P02766 2/20 0.43
PPOX P50336 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIPE Q05469 3/20 0.37
RAB9A P51151 1/20 0.36
RXRA P19793 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
ENPP2 Q13822 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35

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
SCHEMBL3487759 0.91 MAPT (0.42) MEN1KMT2ATTRPPOXTDP1
SCHEMBL6544430 0.88 MMP13 (0.42) ALDH1A1NPSR1SMN1; SMN2
SCHEMBL6543570 0.88 MERTK (0.40) MEN1KMT2AHPGDALDH1A1NPSR1
SCHEMBL3487495 0.88 ALDH1A1 (0.41) MEN1KMT2ATDP1HPGDALDH1A1
SCHEMBL14855362 0.85 PPARG (0.35) MEN1KMT2ATTRHPGDALDH1A1
SCHEMBL6544272 0.85 MMP13 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL6543626 0.85 GHSR (0.35) MEN1KMT2ATDP1HPGDALDH1A1
SCHEMBL27939756 0.84 KMT2A (0.39) MEN1KMT2AHPGDALDH1A1LMNA
SCHEMBL3488461 0.84 DHODH (0.38) MEN1KMT2ANPSR1SMN1; SMN2MMP2
SCHEMBL27782480 0.84 ABL1 (0.34) MEN1KMT2ATTRPPOXTDP1

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