SCHEMBL7812508

SCHEMBL7812508

O=C1SC(Cc2ccc(OCc3ccc4c(c3)ncn4Cc3ccccc3)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 6/20 0.41
PPARG P37231 2/20 0.41
PPARA Q07869 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNF P01375 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
NR1I2 O75469 3/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
CSF1R P07333 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL6899335 0.80 FFAR1 (0.65) FFAR1PPARGPPARA
Water SCHEMBL7805181 0.79 FFAR1 (0.64) FFAR1PPARGPPARA
Water SCHEMBL7805176 0.79 FFAR1 (0.64) FFAR1PPARGPPARA
SCHEMBL27516237 0.75 MAPT (0.51) PPARGLMNAALDH1A1MEN1KMT2A
SCHEMBL7824805 0.74 PPARG (0.39) FFAR1PPARGPPARAMEN1KMT2A
SCHEMBL8475758 0.73 GSK3A (0.53) SMN1; SMN2LMNATSHRHTTNPSR1
Water SCHEMBL8475036 0.72 GSK3A (0.52) SMN1; SMN2LMNATSHRHTTNPSR1
SCHEMBL7835328 0.72 PPARG (0.47) FFAR1PPARGPPARATSHRMEN1
SCHEMBL7832483 0.72 PPARG (0.46) FFAR1PPARGPPARATSHR
SCHEMBL8309388 0.72 PPARG (0.44) FFAR1PPARGHTTALDH1A1MEN1

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-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed