SCHEMBL7777272

SCHEMBL7777272

Cc1ccc(S(=O)(=O)N=N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.55
PRSS1 P07477 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
GAA P10253 3/20 0.54
CYP2C19 P33261 2/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.52
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
TLR9 Q9NR96 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 4/20 0.47

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
SCHEMBL7770967 1.00 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL5138891 0.80 F2 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL9057442 0.78 F2 (0.63) F2PRSS1PRSS2PRSS3GAA
SCHEMBL127246 0.78 F2 (0.57) F2PRSS1PRSS2PRSS3GAA
SCHEMBL663730 0.78 CYP2C19 (0.59) F2PRSS1PRSS2PRSS3GAA
SCHEMBL2412814 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL4658355 0.76 F2 (0.57) F2PRSS1PRSS2PRSS3GAA
SCHEMBL18665498 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3CA1
SCHEMBL2412815 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3GAA
SCHEMBL14382173 0.76 F2 (0.55) F2PRSS1PRSS2PRSS3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121378-A1 A PROCESS FOR THE PREPARATION OF A THROMBUS IMAGING AGENT Du Pont Pharmaceuticals Company (US) 2001-08-08 EP disclosed
WO-2000021982-A1 A PROCESS FOR THE PREPARATION OF A THROMBUS IMAGING AGENT DU PONT PHARMACEUTICALS COMPANY (US) 2000-04-20 WO disclosed
EP-0116127-B1 ALIPHATIC ETHERS OF CYCLODODECEN-2-OL, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF PERFUME COMPOSITIONS HÜLS AKTIENGESELLSCHAFT (DE) 1986-01-15 EP disclosed
EP-0116127-A1 Aliphatic ethers of cyclododecen-2-ol, process for their preparation and their use for the preparation of perfume compositions HÜLS AKTIENGESELLSCHAFT (DE) 1984-08-22 EP disclosed