SCHEMBL8932655

SCHEMBL8932655

Cc1nn(-c2ccccc2)nc1-c1c(C)[nH]c2ccc(CC3SC(=O)NC3=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PPARG P37231 8/20 0.42
MAOA P21397 2/20 0.41
CISD1 Q9NZ45 2/20 0.41
PTPN1 P18031 2/20 0.40
AKT1 P31749 1/20 0.39
PIK3CA P42336 1/20 0.39
MAOB P27338 1/20 0.39
MAPT P10636 1/20 0.38
FFAR1 O14842 6/20 0.38
PPARA Q07869 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
SCHEMBL8932656 0.78 ALDH1A1 (0.41) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL4773524 0.73 PPARG (0.53) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL8932654 0.72 PPARG (0.47) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL4845571 0.69 PPARG (0.49) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL4089698 0.67 ALDH1A1 (0.50) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL166570 0.66 PPARG (0.74) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL8913287 0.65 ALDH1A1 (0.76) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL4778234 0.64 KDM4E (0.53) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL13846702 0.64 PPARG (0.59) ALDH1A1NPSR1PPARGMAOACISD1
SCHEMBL9570559 0.64 MAPT (0.83) ALDH1A1NPSR1PPARGMAOACISD1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996026207-A1 THIAZOLIDINE AND OXAZOLIDINE INDOLES WITH HYPOCLYCEMIC ACTIVITY NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-29 WO disclosed