SCHEMBL8306589

SCHEMBL8306589

Cc1ccsc1-c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.72
MEN1 O00255 1/20 0.57
NPC1 O15118 1/20 0.57
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.57
KMT2A Q03164 1/20 0.57
PTGS1 P23219 3/20 0.56
NAT1 P18440 4/20 0.51
CISD1 Q9NZ45 2/20 0.48
PIK3CG P48736 1/20 0.47
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46
DNM1 Q05193 1/20 0.44
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
CDC7 O00311 1/20 0.43
PLK4 O00444 1/20 0.43

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
SCHEMBL8618544 0.85 PTGS2 (1.00) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL8309757 0.85 PTGS2 (1.00) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL7768284 0.85 PTGS2 (1.00) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL8535410 0.83 PTGS2 (0.85) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL8535412 0.83 PTGS2 (0.85) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL8307820 0.82 DYRK1A (0.61) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL8306585 0.78 PTGS2 (0.69) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL8306587 0.78 PTGS2 (0.69) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL9159377 0.77 GABBR2 (0.43) PTGS2MEN1NPC1ALDH1A1LMNA
SCHEMBL10519512 0.76 PTGS2 (0.80) PTGS2MEN1NPC1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP claimed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US claimed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP claimed
EP-0915090-A1 Compounds useful as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1999-05-12 EP disclosed
US-5661168-A ADMINISTERING RHODANINE DERIVATIVES TO CONTROL DIABETES ELI LILLY AND COMPANY (US) 1997-08-26 US disclosed
WO-1996022772-A1 METHOD FOR TREATING MULTIPLE SCLEROSIS ELI LILLY AND COMPANY (US) 1996-08-01 WO disclosed
EP-0722729-A2 Aryl-substituted rhodanines for treating multiple sclerosis ELI LILLY AND COMPANY (US) 1996-07-24 EP disclosed
US-5523314-A RHODANINE DERIVATIVES ELI LILLY AND COMPANY (US) 1996-06-04 US disclosed
EP-0587377-A2 Thiazolidinone derivatives as hypoglycemic agents and for treating Alzheimer's disease ELI LILLY AND COMPANY (US) 1994-03-16 EP disclosed