SCHEMBL6544826

SCHEMBL6544826

CC(Oc1ccc(C=O)cc1)c1nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
SCN10A Q9Y5Y9 9/20 0.34
CYP1A2 P05177 3/20 0.33
LMNA P02545 2/20 0.33
NR1I2 O75469 1/20 0.33
MAPK14 Q16539 1/20 0.33
ALDH1A3 P47895 1/20 0.33
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
CHEK2 O96017 1/20 0.32
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL6544302 0.86 PTGS2 (0.48)
SCHEMBL6697832 0.85 SCN10A (0.38) MEN1KMT2AHTTSCN10ACYP1A2
SCHEMBL6699629 0.84 SCN10A (0.37) MEN1KMT2ASCN10ACYP1A2LMNA
SCHEMBL6697827 0.83 ALDH1A1 (0.35) MEN1KMT2AHTTSCN10ACYP1A2
Hydrochloric Acid SCHEMBL6700556 0.83 SCN10A (0.36) MEN1KMT2ASCN10ACYP1A2LMNA
SCHEMBL6699623 0.81 CYP1A2 (0.35) MEN1KMT2AHTTSCN10ACYP1A2
Hydrochloric Acid SCHEMBL6700552 0.81 MEN1 (0.35) MEN1KMT2AHTTSCN10ACYP1A2
SCHEMBL6543663 0.80 PPARG (0.43)
Hydrochloric Acid SCHEMBL6544226 0.79 PPARG (0.43)
SCHEMBL6701382 0.77 PPARA (0.35) MEN1KMT2ACYP1A2LMNANR1I2

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