SCHEMBL6183320

SCHEMBL6183320

CCN(Cc1ccccc1)C(=O)CS(=O)(=O)N(c1ccccc1C(N)=O)S(=O)(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TEAD1 P28347 1/20 0.39
KCNA5 P22460 1/20 0.38
BMP1 P13497 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA12 O43570 5/20 0.38
CA1 P00915 5/20 0.38
CA2 P00918 5/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 2/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
LIMK1 P53667 1/20 0.37
LIMK2 P53671 1/20 0.37
LMNA P02545 1/20 0.36

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
SCHEMBL1041350 0.85 TEAD1 (0.54) HCRTR2KEAP1NFE2L2TEAD1KCNA5
SCHEMBL1040668 0.76 HCRTR2 (0.61) HCRTR2KEAP1NFE2L2TEAD1ALDH1A1
SCHEMBL1039017 0.72 TEAD1 (0.55) HCRTR2KEAP1NFE2L2TEAD1ALDH1A1
SCHEMBL1038623 0.71 KEAP1 (0.70) KEAP1NFE2L2
SCHEMBL1037788 0.71 HCRTR2 (0.47) HCRTR2KEAP1NFE2L2TEAD1ALDH1A1
SCHEMBL1038929 0.71 HCRTR2 (0.51) HCRTR2KEAP1NFE2L2TEAD1ALDH1A1
SCHEMBL1038639 0.70 HCRTR2 (0.80) HCRTR2KEAP1NFE2L2TEAD1ALDH1A1
SCHEMBL8338556 0.69 PTGER1 (0.55) KEAP1NFE2L2BMP1ALDH1A1CA12
SCHEMBL1039082 0.68 HCRTR2 (0.58) HCRTR2KEAP1NFE2L2TEAD1CA12
SCHEMBL14029253 0.68 HCRTR2 (0.60) HCRTR2KEAP1NFE2L2TEAD1ALDH1A1

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
EP-1554239-A2 SULFONYLAMINO-ACETIC ACID DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2005-07-20 EP disclosed
WO-2004033418-A2 SULFONYLAMINO-ACETIC DERIVATIVES AND THEIR USE AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2004-04-22 WO disclosed