SCHEMBL7974616

SCHEMBL7974616

O=C1NC(=S)S/C1=C/c1ccc(OCc2c(F)cccc2F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 3/20 0.69
MMP3 P08254 2/20 0.69
PTGS2 P35354 2/20 0.61
MEN1 O00255 2/20 0.60
POLB P06746 2/20 0.60
KMT2A Q03164 2/20 0.60
BLM P54132 1/20 0.60
NOD2 Q9HC29 1/20 0.60
CTSD P07339 2/20 0.60
NAT1 P18440 1/20 0.59
CSNK2A2 P19784 1/20 0.58
CLK1 P49759 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
DYRK1A Q13627 1/20 0.58
DYRK1B Q9Y463 1/20 0.58
MGAM O43451 1/20 0.58
GAA P10253 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58

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
SCHEMBL7974621 1.00 MMP13 (0.69) MMP13MMP3PTGS2MEN1POLB
SCHEMBL7969012 0.92 PTP4A3 (0.68) MMP13MMP3PTGS2MEN1POLB
SCHEMBL7969010 0.92 PTP4A3 (0.68) MMP13MMP3PTGS2MEN1POLB
SCHEMBL1250155 0.82 PTPN1 (0.82) MMP13MMP3PTGS2POLBCTSD
SCHEMBL1250159 0.82 PTPN1 (0.82) MMP13MMP3PTGS2POLBCTSD
SCHEMBL12892045 0.82 MMP13 (1.00) MMP13MMP3PTGS2MEN1POLB
SCHEMBL1248974 0.82 MMP13 (1.00) MMP13MMP3PTGS2MEN1POLB
SCHEMBL1248973 0.82 MMP13 (1.00) MMP13MMP3PTGS2MEN1POLB
SCHEMBL4050544 0.80 MMP13 (0.91) MMP13MMP3MEN1POLBKMT2A
SCHEMBL7971963 0.80 MMP13 (0.77) MMP13MMP3PTGS2MEN1POLB

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