SCHEMBL7969012

SCHEMBL7969012

O=C1NC(=S)SC1=Cc1ccc(OCc2c(F)cccc2Cl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTP4A3 O75365 1/20 0.68
MMP13 P45452 3/20 0.63
MMP3 P08254 2/20 0.63
PTGS2 P35354 4/20 0.58
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
BLM P54132 1/20 0.55
KMT2A Q03164 1/20 0.55
NOD2 Q9HC29 1/20 0.55
CTSD P07339 2/20 0.55
MGAM O43451 1/20 0.53
GAA P10253 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
NAT1 P18440 2/20 0.53
MYC P01106 1/20 0.53
MAX P61244 1/20 0.53
CSNK2A2 P19784 1/20 0.53
CLK1 P49759 1/20 0.53
CSNK2B P67870 1/20 0.53

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
SCHEMBL7969010 1.00 PTP4A3 (0.68) PTP4A3MMP13MMP3PTGS2MEN1
SCHEMBL7974616 0.92 MMP13 (0.69) PTP4A3MMP13MMP3PTGS2MEN1
SCHEMBL7974621 0.92 MMP13 (0.69) PTP4A3MMP13MMP3PTGS2MEN1
SCHEMBL2065201 0.86 PTP4A3 (0.81) PTP4A3MMP13MMP3MGAMGAA
SCHEMBL2065204 0.86 PTP4A3 (0.81) PTP4A3MMP13MMP3MGAMGAA
SCHEMBL7969940 0.83 MMP3 (0.71) PTP4A3MMP13MMP3PTGS2POLB
SCHEMBL7969943 0.83 MMP3 (0.71) PTP4A3MMP13MMP3PTGS2POLB
SCHEMBL10090212 0.81 PTP4A3 (1.00) PTP4A3MMP13MGAMGAASI
SCHEMBL10090223 0.81 PTP4A3 (0.73) PTP4A3KMT2ACTSDNAT1CISD1
SCHEMBL2066284 0.81 PTP4A3 (0.73) PTP4A3KMT2ACTSDNAT1CISD1

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