SCHEMBL6544703

SCHEMBL6544703

CN(C(=O)OC(C)(C)C)c1cc(Oc2ccccc2-c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 4/20 0.36
CD274 Q9NZQ7 4/20 0.36
ALDH1A1 P00352 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
BRD4 O60885 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
AR P10275 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
PTGS2 P35354 1/20 0.35
F10 P00742 1/20 0.35
HTT P42858 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
TTR P02766 1/20 0.34
PPOX P50336 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL6544272 0.88 MMP13 (0.38) ALDH1A1BRD4SMN1; SMN2MEN1KMT2A
SCHEMBL3487405 0.87 TBXA2R (0.40) ALDH1A1TDP1SMN1; SMN2ARMEN1
SCHEMBL6544430 0.86 MMP13 (0.42) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL6544022 0.86 ALOX5 (0.42) ALDH1A1BRD4SMN1; SMN2FFAR4KDM4E
SCHEMBL6544100 0.83 MEN1 (0.40) ALDH1A1MEN1KMT2AHTTCYP19A1
SCHEMBL6544387 0.83 NCOA1 (0.44) ALDH1A1BRD4NCOA1NCOA3SMN1; SMN2
SCHEMBL6543578 0.82 KMT2A (0.41) ALDH1A1TDP1SMN1; SMN2ARMEN1
SCHEMBL6544949 0.81 ALDH1A1 (0.41) ALDH1A1TDP1SMN1; SMN2ARMEN1
SCHEMBL6543547 0.81 MMP13 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL27804034 0.81 HSPB1 (0.40) ALDH1A1TDP1SMN1; SMN2MEN1KMT2A

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