SCHEMBL7971949

SCHEMBL7971949

CC(C)(C)c1ccc(SCc2cccc(/C=C3\SC(=S)NC3=O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 5/20 0.62
NAT1 P18440 3/20 0.54
CISD1 Q9NZ45 2/20 0.54
MMP13 P45452 1/20 0.51
PIK3CG P48736 2/20 0.51
ADAMTS4 O75173 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MYC P01106 1/20 0.49
MAX P61244 1/20 0.49
CA2 P00918 1/20 0.48
EPHX1 P07099 1/20 0.48
GSK3B P49841 2/20 0.48

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
SCHEMBL7971951 1.00 ADAMTS5 (0.62) ADAMTS5NAT1CISD1MMP13PIK3CG
SCHEMBL7972010 0.83 ADAMTS5 (0.67) ADAMTS5NAT1CISD1MMP13PIK3CG
SCHEMBL7972014 0.83 ADAMTS5 (0.67) ADAMTS5NAT1CISD1MMP13PIK3CG
SCHEMBL14151865 0.80 CISD1 (0.76) ADAMTS5NAT1CISD1MMP13RAB9A
SCHEMBL7968080 0.78 ADAMTS5 (0.58) ADAMTS5NAT1CISD1NPC1RAB9A
SCHEMBL7968078 0.78 ADAMTS5 (0.58) ADAMTS5NAT1CISD1NPC1RAB9A
SCHEMBL7972188 0.78 ADAMTS5 (0.77) ADAMTS5NAT1MMP13GSK3B
SCHEMBL7972192 0.78 ADAMTS5 (0.77) ADAMTS5NAT1MMP13GSK3B
SCHEMBL14151863 0.77 ADAMTS5 (0.66) ADAMTS5NAT1CISD1NPC1RAB9A
SCHEMBL14261908 0.77 ADAMTS5 (0.66) ADAMTS5NAT1CISD1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6251928-B1 ADMINISTERING BENZYLIDENE RHODANINES WHICH ARE USEFUL AS AGENTS IN TREATING OR PREVENTING CONDITIONS ASSOCIATED WITH BETA-AMYLOID PEPTIDE IN A MAMMAL ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0677517-A1 Treatment of Alzheimer's disease employing inhibitors of cathepsin D ELI LILLY AND COMPANY (US) 1995-10-18 EP disclosed