SCHEMBL8306587

SCHEMBL8306587

CSc1ccccc1-c1cc(C=C2SC(=S)NC2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.69
PTGS1 P23219 3/20 0.53
NAT1 P18440 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
CISD1 Q9NZ45 1/20 0.48
PIK3CG P48736 1/20 0.47
CA2 P00918 1/20 0.47
EPHX1 P07099 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
IGF1R P08069 1/20 0.47
MYC P01106 1/20 0.46
MAX P61244 1/20 0.46

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
SCHEMBL8306585 1.00 PTGS2 (0.69) PTGS2PTGS1NAT1MEN1KMT2A
SCHEMBL8618544 0.82 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1KMT2A
SCHEMBL7768284 0.82 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1KMT2A
SCHEMBL8309757 0.82 PTGS2 (1.00) PTGS2PTGS1NAT1MEN1KMT2A
SCHEMBL8307815 0.82 DYRK1A (0.61) NAT1MEN1KMT2ANPC1ALDH1A1
SCHEMBL8307819 0.82 DYRK1A (0.61) NAT1MEN1KMT2ANPC1ALDH1A1
SCHEMBL8535412 0.78 PTGS2 (0.85) PTGS2PTGS1NAT1MEN1KMT2A
SCHEMBL8535410 0.78 PTGS2 (0.85) PTGS2PTGS1NAT1MEN1KMT2A
SCHEMBL8306589 0.78 PTGS2 (0.72) PTGS2PTGS1NAT1MEN1KMT2A
SCHEMBL8536887 0.77 NPC1 (0.61) PTGS2NAT1MEN1KMT2ANPC1

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