SCHEMBL7968027

SCHEMBL7968027

CC(C)(C)c1ccc(Nc2cccc(C=C3SC(=S)NC3=O)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 5/20 0.67
NAT1 P18440 3/20 0.58
CISD1 Q9NZ45 2/20 0.58
CA2 P00918 1/20 0.52
EPHX1 P07099 1/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
MMP3 P08254 1/20 0.51
MMP13 P45452 1/20 0.51
PTGS2 P35354 1/20 0.50
PIK3CG P48736 1/20 0.49
MEN1 O00255 1/20 0.49
PIM1 P11309 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
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
SCHEMBL7968024 1.00 ADAMTS5 (0.67) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL7972651 0.88 ADAMTS5 (0.58) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL7972654 0.88 ADAMTS5 (0.58) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL14151865 0.83 CISD1 (0.76) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL14261908 0.80 ADAMTS5 (0.66) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL14151863 0.80 ADAMTS5 (0.66) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL14226359 0.80 ADAMTS5 (0.66) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL8188463 0.80 ADAMTS5 (1.00) ADAMTS5NAT1CISD1MMP3MMP13
SCHEMBL7972010 0.80 ADAMTS5 (0.67) ADAMTS5NAT1CISD1CA2EPHX1
SCHEMBL7972291 0.80 ADAMTS5 (1.00) ADAMTS5NAT1CISD1MMP3MMP13

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