SCHEMBL6465524

SCHEMBL6465524

CCC=CS(=O)(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 2/20 0.59
PSIP1 O75475 1/20 0.50
CTSK P43235 2/20 0.46
EGFR P00533 1/20 0.44
NFE2L2 Q16236 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 1/20 0.41
HSD11B1 P28845 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
HSD17B10 Q99714 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA3 P07451 1/20 0.38

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
SCHEMBL6465522 1.00 TLR9 (0.59) TLR9PSIP1CTSKEGFRNFE2L2
SCHEMBL8364527 0.84 CTSK (0.53) TLR9CTSKALDH1A1CYP1A2CYP2C9
SCHEMBL7011858 0.81 TLR9 (0.52) TLR9PSIP1CTSKEGFRNFE2L2
SCHEMBL7011863 0.81 TLR9 (0.52) TLR9PSIP1CTSKEGFRNFE2L2
SCHEMBL14864828 0.80 CTSK (0.47) TLR9CTSKALDH1A1CYP1A2CYP2C9
SCHEMBL8366439 0.80 TLR9 (0.50) TLR9PSIP1CTSKTDP1HSD17B10
SCHEMBL8366438 0.80 TLR9 (0.50) TLR9PSIP1CTSKTDP1HSD17B10
SCHEMBL1344341 0.79 TLR9 (0.80) TLR9PSIP1EGFRNFE2L2ALDH1A1
SCHEMBL1344338 0.79 TLR9 (0.80) TLR9PSIP1EGFRNFE2L2ALDH1A1
SCHEMBL2787588 0.79 TLR9 (0.80) TLR9PSIP1EGFRNFE2L2ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050042676-A1 Characterising polypeptides ELECTROPHORETICS LIMITED (GB) 2005-02-24 US disclosed
EP-1397505-A2 CHARACTERISING POLYPEPTIDES Xzillion GmbH & CO.KG (DE) 2004-03-17 EP disclosed
EP-1267170-A1 Method for characterising polypeptides Xzillion GmbH & CO.KG (DE) 2002-12-18 EP disclosed
WO-2002099124-A2 CHARACTERISING POLYPEPTIDES XZILLION GMBH & CO. KG (DE) 2002-12-12 WO disclosed
EP-0756625-A4 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARM CORP (US) 1999-07-28 EP disclosed
EP-0756625-A1 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS CONTAINING VINYL GROUPS CONJUGATED TO ELECTRON WITHDRAWING GROUPS ARRIS PHARMACEUTICAL CORPORATION (US) 1997-02-05 EP disclosed