SCHEMBL7969672

SCHEMBL7969672

O=C1NC(=S)S/C1=C\c1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.82
MMP3 P08254 2/20 0.77
MMP13 P45452 2/20 0.77
GSK3B P49841 1/20 0.65
POLB P06746 2/20 0.63
HRH3 Q9Y5N1 1/20 0.63
MEN1 O00255 1/20 0.63
BLM P54132 1/20 0.63
KMT2A Q03164 1/20 0.63
NOD2 Q9HC29 1/20 0.63
CTSD P07339 2/20 0.62
ADAMTS5 Q9UNA0 1/20 0.61
CA2 P00918 1/20 0.61
NAT1 P18440 1/20 0.61
EPHX1 P07099 1/20 0.61
PTPN1 P18031 2/20 0.61
MAOA P21397 1/20 0.61
MAOB P27338 1/20 0.61
MGAM O43451 1/20 0.61
GAA P10253 1/20 0.61

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
SCHEMBL7969676 1.00 HPGD (0.82) HPGDMMP3MMP13GSK3BPOLB
SCHEMBL4057345 0.94 HPGD (0.82) HPGDMMP3MMP13GSK3BPOLB
SCHEMBL4057346 0.94 HPGD (0.82) HPGDMMP3MMP13GSK3BPOLB
SCHEMBL6866151 0.90 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL6868002 0.87 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL1248974 0.87 MMP13 (1.00) HPGDMMP3MMP13POLBMEN1
SCHEMBL12892045 0.87 MMP13 (1.00) HPGDMMP3MMP13POLBMEN1
SCHEMBL1248973 0.87 MMP13 (1.00) HPGDMMP3MMP13POLBMEN1
SCHEMBL1300347 0.84 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB
SCHEMBL6866778 0.84 HPGD (1.00) HPGDPOLBPTPN1MAOAMAOB

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