SCHEMBL7681709

SCHEMBL7681709

O=C1NS(=O)(=O)N(Cc2ccccc2)C1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.44
F2 P00734 1/20 0.42
PLG P00747 1/20 0.42
ELANE P08246 1/20 0.42
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
CTRC Q99895 1/20 0.42
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
GFER P55789 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
MMP1 P03956 1/20 0.39
MMP3 P08254 1/20 0.39
MMP9 P14780 1/20 0.39
HDAC2 Q92769 3/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
MMP2 P08253 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
SCHEMBL7465763 0.69 EP300 (0.44) EP300F2PLGELANECTSG
SCHEMBL7440132 0.67 HDAC8 (0.46) GAAPOLBHDAC8CYP1A2CYP3A4
SCHEMBL7333420 0.67 HDAC8 (0.46) GAAPOLBHDAC8CYP1A2CYP3A4
SCHEMBL9085097 0.66 HDAC8 (0.45) GAAPOLBHDAC8CYP1A2CYP3A4
SCHEMBL6936117 0.65 ALDH1A1 (0.57) MAPTPOLBHDAC2HDAC8HDAC6
SCHEMBL17070912 0.64 EP300 (0.48) EP300GFERGAAPOLBHDAC8
SCHEMBL7097780 0.64 GFER (0.66) GFERMMP1MMP3MMP9HDAC2
SCHEMBL1732657 0.62 PTPN1 (0.53) F2PLGELANECTSGCMA1
SCHEMBL7441792 0.62 DDB1 (0.49) HDAC8KMT2A
SCHEMBL1226583 0.62 HDAC8 (0.56) GAAPOLBHDAC8CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6420401-B1 SERINE PROTEASE INHIBITOR WICHITA STATE UNIVERSITY 2002-07-16 US disclosed
EP-1011668-A4 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES UNIV WICHITA STATE (US) 2001-08-16 EP disclosed
EP-1011668-A1 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES THE WICHITA STATE UNIVERSITY (US) 2000-06-28 EP disclosed
WO-1999009977-A9 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES UNIV WICHITA STATE (US) 1999-06-24 WO disclosed
WO-1999009977-A1 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES WICHITA STATE UNIVERSITY (US) 1999-03-04 WO disclosed