SCHEMBL7972353

SCHEMBL7972353

O=C1NC(=S)S/C1=C\c1ccc(OCc2ccccc2Cc2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.79
MMP3 P08254 2/20 0.79
CTSD P07339 4/20 0.65
ADAMTS5 Q9UNA0 3/20 0.64
PTPN1 P18031 2/20 0.64
HPGD P15428 1/20 0.64
POLB P06746 1/20 0.64
MAOA P21397 1/20 0.64
MAOB P27338 1/20 0.64
PTGS2 P35354 3/20 0.62
MGAM O43451 1/20 0.58
GAA P10253 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
CA2 P00918 1/20 0.57
NAT1 P18440 1/20 0.57
EPHX1 P07099 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
SCHEMBL7972356 1.00 MMP13 (0.79) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL1248974 0.89 MMP13 (1.00) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL12892045 0.89 MMP13 (1.00) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL1248973 0.89 MMP13 (1.00) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL7958745 0.87 MMP3 (0.71) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL7958747 0.87 MMP3 (0.71) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL7971523 0.87 MMP3 (0.71) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL7971526 0.87 MMP3 (0.71) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL7969940 0.84 MMP3 (0.71) MMP13MMP3CTSDADAMTS5PTPN1
SCHEMBL7968305 0.84 MMP3 (0.71) MMP13MMP3CTSDADAMTS5PTPN1

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