SCHEMBL7969943

SCHEMBL7969943

O=C1NC(=S)SC1=Cc1ccc(OCc2ccccc2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 2/20 0.71
MMP13 P45452 2/20 0.71
PTP4A3 O75365 1/20 0.63
PTGS2 P35354 4/20 0.63
PTPN1 P18031 2/20 0.61
CTSD P07339 2/20 0.61
MGAM O43451 1/20 0.60
GAA P10253 1/20 0.60
SI P14410 1/20 0.60
MGAM2 Q2M2H8 1/20 0.60
NAT1 P18440 2/20 0.57
MYC P01106 1/20 0.57
MAX P61244 1/20 0.57
ADAMTS5 Q9UNA0 1/20 0.57
CISD1 Q9NZ45 1/20 0.57
CSNK2A2 P19784 1/20 0.57
CLK1 P49759 1/20 0.57
CSNK2B P67870 1/20 0.57
CSNK2A1 P68400 1/20 0.57
DYRK1A Q13627 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
SCHEMBL7969940 1.00 MMP3 (0.71) MMP3MMP13PTP4A3PTGS2PTPN1
SCHEMBL12892071 0.87 IGF1R (0.69) MMP3MMP13PTP4A3PTGS2PTPN1
SCHEMBL7971526 0.86 MMP3 (0.71) MMP3MMP13PTGS2PTPN1CTSD
SCHEMBL7958745 0.86 MMP3 (0.71) MMP3MMP13PTGS2PTPN1CTSD
SCHEMBL7968308 0.86 MMP3 (0.71) MMP3MMP13PTP4A3PTGS2PTPN1
SCHEMBL7958747 0.86 MMP3 (0.71) MMP3MMP13PTGS2PTPN1CTSD
SCHEMBL7968305 0.86 MMP3 (0.71) MMP3MMP13PTP4A3PTGS2PTPN1
SCHEMBL7971523 0.86 MMP3 (0.71) MMP3MMP13PTGS2PTPN1CTSD
SCHEMBL7972353 0.84 MMP13 (0.79) MMP3MMP13PTGS2PTPN1CTSD
SCHEMBL7971693 0.84 MMP13 (0.69) MMP3MMP13PTGS2PTPN1CTSD

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