SCHEMBL6544015

SCHEMBL6544015

Cc1cc(Oc2ccc([N+](=O)[O-])c(N(C)C(=O)OC(C)(C)C)c2)c(C)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.34
KMT2A Q03164 5/20 0.34
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 5/20 0.34
HPGD P15428 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 3/20 0.33
TBXA2R P21731 2/20 0.33
POLB P06746 2/20 0.33
TTR P02766 1/20 0.33
PPOX P50336 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HTT P42858 4/20 0.31
MAPK1 P28482 1/20 0.31
PYGL P06737 1/20 0.31
TSHR P16473 1/20 0.31
GLA P06280 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 0.89 NR1H4 (0.35) ALDH1A1KMT2ALMNASMN1; SMN2MEN1
SCHEMBL6543706 0.88 ALDH1A1 (0.36) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL27804034 0.86 HSPB1 (0.40) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL6543791 0.86 KMT2A (0.37) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL3487405 0.85 TBXA2R (0.40) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL27804074 0.85 HSPB1 (0.39) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL27939756 0.84 KMT2A (0.39) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL6544202 0.83 ABL1 (0.32)
SCHEMBL3487495 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ALMNASMN1; SMN2HPGD
SCHEMBL6543810 0.81 ESRRA (0.46) ALDH1A1NPSR1POLBL3MBTL1MAPT

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