SCHEMBL7971963

SCHEMBL7971963

O=C1NC(=S)S/C1=C/c1ccc(OCc2cccc(O)c2)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.77
MMP3 P08254 2/20 0.77
CTSD P07339 5/20 0.68
NAT1 P18440 2/20 0.68
ADAMTS5 Q9UNA0 3/20 0.66
POLB P06746 2/20 0.62
PTPN1 P18031 2/20 0.62
HPGD P15428 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
MEN1 O00255 1/20 0.61
BLM P54132 1/20 0.61
KMT2A Q03164 1/20 0.61
NOD2 Q9HC29 1/20 0.61
PTGS2 P35354 2/20 0.58
AKR1B1 P15121 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
SCHEMBL7971966 1.00 MMP13 (0.77) MMP13MMP3CTSDNAT1ADAMTS5
SCHEMBL7969145 0.88 MMP13 (0.76) MMP13MMP3CTSDADAMTS5POLB
SCHEMBL4055509 0.88 MMP13 (0.76) MMP13MMP3CTSDNAT1ADAMTS5
SCHEMBL7969148 0.88 MMP13 (0.76) MMP13MMP3CTSDADAMTS5POLB
SCHEMBL4055508 0.88 MMP13 (0.76) MMP13MMP3CTSDNAT1ADAMTS5
SCHEMBL10050563 0.87 MMP13 (0.74) MMP13MMP3CTSDADAMTS5POLB
SCHEMBL12892045 0.87 MMP13 (1.00) MMP13MMP3CTSDNAT1ADAMTS5
SCHEMBL1248973 0.87 MMP13 (1.00) MMP13MMP3CTSDNAT1ADAMTS5
SCHEMBL1248974 0.87 MMP13 (1.00) MMP13MMP3CTSDNAT1ADAMTS5
SCHEMBL7975010 0.87 MMP13 (0.81) MMP13MMP3CTSDNAT1ADAMTS5

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