SCHEMBL7846467

SCHEMBL7846467

NC(=S)COc1cc(Cl)cc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.44
MAPT P10636 2/20 0.41
MAOB P27338 1/20 0.39
AOC3 Q16853 1/20 0.39
HTR3E A5X5Y0 2/20 0.39
HTR3B O95264 2/20 0.39
HTR3A P46098 2/20 0.39
HTR3D Q70Z44 2/20 0.39
HTR3C Q8WXA8 2/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
SOD1 P00441 1/20 0.37
CYP2C19 P33261 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
OGG1 O15527 1/20 0.35
SCN9A Q15858 1/20 0.35
IDO1 P14902 2/20 0.34
ITGB3 P05106 1/20 0.34

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
SCHEMBL7842545 0.81 WDR5 (0.70) WDR5MAOBAOC3ALDH1A1LMNA
SCHEMBL1815388 0.79 ALDH1A1 (0.45) WDR5MAPTALDH1A1GAASOD1
SCHEMBL7841589 0.79 SMN1; SMN2 (0.50) MAPTMAOBALDH1A1GAAPOLB
SCHEMBL12297764 0.72 SOD1 (0.46) MAPTSOD1CYP2C19MRGPRX4OGG1
SCHEMBL5274567 0.72 ALOX15 (0.54) MAPTALDH1A1LMNAMRGPRX4
SCHEMBL8149163 0.71 MAPT (0.46) MAPTMAOBALDH1A1SOD1CYP2C19
SCHEMBL2094046 0.70 MAPT (0.48) WDR5MAPTMAOBAOC3HTR3E
SCHEMBL159433 0.70 ALOX15 (0.56) MAOBAOC3ALDH1A1GAA
SCHEMBL3752322 0.69 AOC3 (0.74) MAOBAOC3
SCHEMBL3752324 0.69 AOC3 (0.74) MAOBAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1125932-A2 Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 2001-08-22 EP disclosed
US-5668161-A Substituted thiazoles for the treatment of inflammation G.D. SEARLE & CO. (US) 1997-09-16 US disclosed
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed