SCHEMBL6543547

SCHEMBL6543547

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(Cc3ccccc3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.39
SRD5A2 P31213 1/20 0.38
BCL2 P10415 1/20 0.38
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPY5R Q15761 1/20 0.36
FFAR1 O14842 1/20 0.36
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 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
SCHEMBL6544430 0.92 MMP13 (0.42) MMP13BCL2ALDH1A1SMN1; SMN2NPY5R
SCHEMBL6544736 0.90 MEN1 (0.46) BCL2ALDH1A1SMN1; SMN2LMNA
SCHEMBL14855362 0.89 PPARG (0.35) MMP13BCL2ALDH1A1SMN1; SMN2
SCHEMBL6544272 0.89 MMP13 (0.38) MMP13BCL2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14855569 0.88 BCL2 (0.34) MMP13BCL2ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL14855106 0.88 ST14 (0.37) MMP13BCL2ALDH1A1SMN1; SMN2LMNA
SCHEMBL6543773 0.88 BCL2 (0.45) BCL2ACACBLMNA
SCHEMBL6544794 0.86 BCL2 (0.43) BCL2ALDH1A1LMNA
SCHEMBL6703682 0.85 BACE1 (0.46) BCL2ALDH1A1L3MBTL1PKMLMNA
SCHEMBL6543570 0.85 MERTK (0.40) ALDH1A1SMN1; SMN2LMNA

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