SCHEMBL7969587

SCHEMBL7969587

CC(C)(C)c1ccc(-c2ccc(C=C3SC(=S)NC3=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAT1 P18440 5/20 0.70
ADAMTS5 Q9UNA0 1/20 0.62
MYC P01106 4/20 0.61
MAX P61244 3/20 0.61
CISD1 Q9NZ45 3/20 0.61
CRHBP P24387 2/20 0.60
CRHR2 Q13324 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
CSNK2A2 P19784 1/20 0.60
CLK1 P49759 1/20 0.60
CSNK2B P67870 1/20 0.60
CSNK2A1 P68400 1/20 0.60
DYRK1A Q13627 1/20 0.60
DYRK1B Q9Y463 1/20 0.60
CA2 P00918 1/20 0.60
EPHX1 P07099 1/20 0.60
MAOA P21397 1/20 0.57
IL1RN P18510 1/20 0.57
ERAP1 Q9NZ08 1/20 0.57

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
SCHEMBL7969582 1.00 NAT1 (0.70) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL14226359 0.96 ADAMTS5 (0.66) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL14151863 0.96 ADAMTS5 (0.66) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL14261908 0.96 ADAMTS5 (0.66) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL7974854 0.88 ADAMTS5 (0.79) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL7968080 0.88 ADAMTS5 (0.58) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL7972651 0.88 ADAMTS5 (0.58) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL7972654 0.88 ADAMTS5 (0.58) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL7974858 0.88 ADAMTS5 (0.79) NAT1ADAMTS5MYCMAXCISD1
SCHEMBL7968078 0.88 ADAMTS5 (0.58) NAT1ADAMTS5MYCMAXCISD1

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