SCHEMBL6544303

SCHEMBL6544303

Cn1c(COc2ccc(C=C3SC(=O)NC3=O)cc2)nc2ccc(Sc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.48
PTGS1 P23219 1/20 0.48
ESRRA P11474 2/20 0.47
PPARG P37231 2/20 0.47
HPGD P15428 7/20 0.42
PIM1 P11309 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
PTPN1 P18031 2/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.40
GSK3B P49841 1/20 0.40

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
SCHEMBL6544301 1.00 PTGS2 (0.48) PTGS2PTGS1ESRRAPPARGHPGD
SCHEMBL6544823 0.85 ESRRA (0.52) ESRRAPPARG
SCHEMBL6543658 0.81 PPARG (0.72) ESRRAPPARG
Hydrochloric Acid SCHEMBL6544222 0.80 PPARG (0.71) ESRRAPPARG
SCHEMBL6697822 0.78 ESRRA (0.51) ESRRAPPARG
SCHEMBL6699619 0.77 ESRRA (0.48) ESRRAPPARG
Hydrochloric Acid SCHEMBL6700550 0.76 ESRRA (0.47) ESRRAPPARG
SCHEMBL6544302 0.74 PTGS2 (0.48) PTGS2PTGS1PPARGHPGDPIM1
SCHEMBL6544220 0.73 ESRRA (0.41) ESRRAPPARGHPGDPOLB
SCHEMBL6701377 0.72 ESRRA (0.44) ESRRAPPARG

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