SCHEMBL6544272

SCHEMBL6544272

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccc(-c3ccccc3)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PIN1 Q13526 1/20 0.38
MCL1 Q07820 2/20 0.38
ABCB1 P08183 2/20 0.37
BCL2 P10415 2/20 0.37
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
KDM4E B2RXH2 1/20 0.36
BRD4 O60885 1/20 0.36
LTA4H P09960 1/20 0.35
PAX8 Q06710 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SCN9A Q15858 1/20 0.35
MAPT P10636 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 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 0.94 MMP13 (0.42) MMP13ALDH1A1SMN1; SMN2BCL2KDM4E
SCHEMBL6544022 0.94 ALOX5 (0.42) MMP13ALDH1A1SMN1; SMN2ABCB1BCL2
SCHEMBL6543773 0.90 BCL2 (0.45) MCL1BCL2MEN1KMT2AMAPT
SCHEMBL6543547 0.89 MMP13 (0.39) MMP13ALDH1A1SMN1; SMN2BCL2L3MBTL1
SCHEMBL6543570 0.88 MERTK (0.40) ALDH1A1SMN1; SMN2PAX8MEN1KMT2A
SCHEMBL3487495 0.88 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL6544703 0.88 PDCD1 (0.36) ALDH1A1SMN1; SMN2KDM4EBRD4MEN1
SCHEMBL6544736 0.87 MEN1 (0.46) ALDH1A1SMN1; SMN2MCL1BCL2MEN1
SCHEMBL6543839 0.86 MAPT (0.40) MMP13ALDH1A1SMN1; SMN2BCL2CRHBP
SCHEMBL6544544 0.85 MEN1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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