SCHEMBL7968308

SCHEMBL7968308

O=C1NC(=S)SC1=Cc1ccc(OCc2ccccc2Br)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 0.66
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
PTGS2 P35354 4/20 0.60
CISD1 Q9NZ45 1/20 0.57
ADAMTS5 Q9UNA0 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
DYRK1B Q9Y463 1/20 0.57
POLB P06746 2/20 0.57
HPGD P15428 1/20 0.57
PTPN1 P18031 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
SCHEMBL7968305 1.00 MMP3 (0.71) MMP3MMP13PTP4A3CTSDMGAM
SCHEMBL7969943 0.86 MMP3 (0.71) MMP3MMP13PTP4A3CTSDMGAM
SCHEMBL7958745 0.86 MMP3 (0.71) MMP3MMP13CTSDMGAMGAA
SCHEMBL7958747 0.86 MMP3 (0.71) MMP3MMP13CTSDMGAMGAA
SCHEMBL7971526 0.86 MMP3 (0.71) MMP3MMP13CTSDMGAMGAA
SCHEMBL7971523 0.86 MMP3 (0.71) MMP3MMP13CTSDMGAMGAA
SCHEMBL7969940 0.86 MMP3 (0.71) MMP3MMP13PTP4A3CTSDMGAM
SCHEMBL885422 0.85 PTP4A3 (0.83) MMP3MMP13PTP4A3ADAMTS5PTPN1
SCHEMBL2065839 0.85 PTP4A3 (0.83) MMP3MMP13PTP4A3ADAMTS5PTPN1
SCHEMBL7972353 0.84 MMP13 (0.79) MMP3MMP13CTSDMGAMGAA

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