SCHEMBL6543706

SCHEMBL6543706

Cc1cc(O)ccc1Oc1ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 6/20 0.36
SMN1; SMN2 Q16637 5/20 0.36
LMNA P02545 5/20 0.36
HPGD P15428 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 4/20 0.35
HTT P42858 4/20 0.35
MAPK1 P28482 2/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 3/20 0.35
TTR P02766 1/20 0.35
PPOX P50336 1/20 0.35
TBXA2R P21731 3/20 0.35
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH3A1 P30838 1/20 0.34
GLA P06280 1/20 0.33

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
SCHEMBL27804034 0.90 HSPB1 (0.40) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL6544749 0.89 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL6544015 0.88 ALDH1A1 (0.34) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL3487405 0.88 TBXA2R (0.40) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL6543791 0.86 KMT2A (0.37) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL6543839 0.85 MAPT (0.40) ALDH1A1SMN1; SMN2LMNAHTTMAPT
SCHEMBL6543834 0.84 NR1H4 (0.35) ALDH1A1KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL27939756 0.84 KMT2A (0.39) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD
SCHEMBL6543097 0.83 PGR (0.33)
SCHEMBL27804048 0.83 HSPB1 (0.37) ALDH1A1KMT2ASMN1; SMN2LMNAHPGD

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