SCHEMBL8895623

SCHEMBL8895623

Cc1cc(C=C2SC(=S)N(N(C)C)C2=O)cc(C(C)(C)C)c1O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.48
PTGS1 P23219 7/20 0.46
NAT1 P18440 2/20 0.44
ALOX5 P09917 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
POLB P06746 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
ALPI P09923 1/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.41

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
SCHEMBL8992131 1.00 PTGS2 (0.48) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL8534268 0.93 PTGS2 (0.55) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL8534273 0.93 PTGS2 (0.55) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL8992104 0.83 PTGS2 (0.52) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL8894309 0.83 PTGS2 (0.52) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL8534288 0.79 PTGS2 (0.48) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL8534287 0.79 PTGS2 (0.48) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL8198993 0.77 NAT1 (0.69) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL7246589 0.77 NAT1 (0.69) PTGS2PTGS1NAT1ALOX5ALDH1A1
SCHEMBL7246592 0.77 NAT1 (0.69) PTGS2PTGS1NAT1ALOX5ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691367-A ANTIINFLAMMATORY AGENTS OR ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1997-11-25 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
EP-0391644-B1 Aryl-substituted rhodanine derivatives LILLY CO ELI (US) 1996-06-19 EP disclosed
US-5356917-A Antiischemic, antiinflammatory, antiarthritic agents, treat-ment of dystrophic mammals ELI LILLY AND COMPANY (US) 1994-10-18 US disclosed
US-5158966-A Aryl-substituted rhodanine derivatives THE UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-10-27 US disclosed
EP-0500337-A1 Composition containing aryl-substituted rhodanine derivatives for the treatment of type I diabetes UNIVERSITY OF COLORADO FOUNDATION, INC. (US) 1992-08-26 EP disclosed