SCHEMBL7842545

SCHEMBL7842545

NC(=S)COc1cccc(Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 1/20 0.70
MAOB P27338 1/20 0.56
AOC3 Q16853 1/20 0.56
POLB P06746 1/20 0.52
GAA P10253 3/20 0.51
TP53 P04637 1/20 0.51
ALOX12 P18054 1/20 0.51
ALDH1A1 P00352 2/20 0.49
FKBP1A P62942 1/20 0.48
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
ADAMTS5 Q9UNA0 1/20 0.45
NOTUM Q6P988 1/20 0.45
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 1/20 0.44

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
SCHEMBL9205693 0.82 WDR5 (0.70) WDR5MAOBAOC3POLBGAA
SCHEMBL7782156 0.82 WDR5 (1.00) WDR5MAOBAOC3POLBGAA
SCHEMBL7846467 0.81 WDR5 (0.44) WDR5MAOBAOC3POLBGAA
SCHEMBL11163974 0.78 WDR5 (0.64) WDR5MAOBAOC3POLBGAA
SCHEMBL7841589 0.77 SMN1; SMN2 (0.50) MAOBPOLBGAAALDH1A1HTT
SCHEMBL159433 0.77 ALOX15 (0.56) MAOBAOC3GAAALDH1A1KMT2A
SCHEMBL523934 0.76 LMNA (0.64) WDR5MAOBAOC3POLBGAA
SCHEMBL1308577 0.76 WDR5 (0.62) WDR5MAOBAOC3POLBGAA
SCHEMBL29590819 0.76 WDR5 (0.62) WDR5MAOBAOC3POLBGAA
SCHEMBL29447016 0.76 LMNA (0.64) WDR5MAOBAOC3POLBGAA

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