SCHEMBL6544302

SCHEMBL6544302

CC(Oc1ccc(C=C2SC(=O)NC2=O)cc1)c1nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.48
PTGS1 P23219 2/20 0.48
GSK3B P49841 2/20 0.38
AKR1B1 P15121 3/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37
PIM1 P11309 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PPARG P37231 1/20 0.36
IGF1R P08069 1/20 0.36
HPGD P15428 1/20 0.36
NAT1 P18440 1/20 0.36

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
SCHEMBL6544826 0.86 MEN1 (0.34)
SCHEMBL6543663 0.80 PPARG (0.43) PPARG
Hydrochloric Acid SCHEMBL6544226 0.79 PPARG (0.43) PPARG
SCHEMBL6697832 0.79 SCN10A (0.38)
SCHEMBL6699629 0.78 SCN10A (0.37)
Hydrochloric Acid SCHEMBL6700556 0.77 SCN10A (0.36)
SCHEMBL6697827 0.77 ALDH1A1 (0.35)
SCHEMBL6699623 0.76 CYP1A2 (0.35) NPC1RAB9A
Hydrochloric Acid SCHEMBL6700552 0.75 MEN1 (0.35) NPC1RAB9A
SCHEMBL6544303 0.74 PTGS2 (0.48) PTGS2PTGS1GSK3BPIM1PIM2

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