SCHEMBL6543791

SCHEMBL6543791

Cc1c(O)ccc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c2)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
MEN1 O00255 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
TTR P02766 1/20 0.37
PPOX P50336 1/20 0.37
ALDH1A1 P00352 6/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 4/20 0.34
ALDH3A1 P30838 1/20 0.34
TBXA2R P21731 4/20 0.33
HTT P42858 3/20 0.33
MAPK1 P28482 2/20 0.33
KDM4E B2RXH2 2/20 0.32
PTPN1 P18031 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL6543834 0.86 NR1H4 (0.35) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL6543706 0.86 ALDH1A1 (0.36) KMT2AMEN1TDP1TTRPPOX
SCHEMBL6544015 0.86 ALDH1A1 (0.34) KMT2AMEN1TDP1TTRPPOX
SCHEMBL27804034 0.84 HSPB1 (0.40) KMT2AMEN1TDP1TTRPPOX
SCHEMBL6543810 0.83 ESRRA (0.46) ALDH1A1NPSR1HTTPOLBMAPT
SCHEMBL3487405 0.83 TBXA2R (0.40) KMT2AMEN1TDP1ALDH1A1NPSR1
SCHEMBL6544812 0.83 ESRRA (0.33)
SCHEMBL6544749 0.83 ALDH1A1 (0.38) KMT2AMEN1TDP1TTRPPOX
SCHEMBL27804048 0.83 HSPB1 (0.37) KMT2AMEN1TDP1TTRPPOX
SCHEMBL3487495 0.83 ALDH1A1 (0.41) KMT2AMEN1TDP1ALDH1A1NPSR1

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