SCHEMBL8002291

SCHEMBL8002291

COc1cccc(/C=C/S(=O)(=O)N(c2cccc(Cl)c2)S(=O)(=O)/C=C/c2cccc(OC)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 7/20 0.60
RELA Q04206 2/20 0.48
FBP1 P09467 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 1/20 0.44
TUBB1 Q9H4B7 1/20 0.44
XDH P47989 2/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL7998940 0.95 NFE2L2 (0.64) NFE2L2RELAFBP1TUBB4ATUBB
SCHEMBL7998331 0.87 NFE2L2 (0.48) NFE2L2RELAFBP1
SCHEMBL7998337 0.86 NFE2L2 (0.62) NFE2L2RELAFBP1XDHEGFR
SCHEMBL8001633 0.84 NFE2L2 (0.50) NFE2L2RELAFBP1
SCHEMBL7998334 0.83 PTGES2 (0.46) NFE2L2FBP1
SCHEMBL8001632 0.83 MAPT (0.48) NFE2L2FBP1EGFR
SCHEMBL8002658 0.82 NFE2L2 (0.45) NFE2L2RELAFBP1TUBB4ATUBB
SCHEMBL7990203 0.80 NFE2L2 (0.47) NFE2L2FBP1
SCHEMBL8002639 0.78 NFE2L2 (0.43) NFE2L2FBP1
SCHEMBL7990162 0.78 ALDH1A1 (0.51) NFE2L2FBP1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009120783-A1 HIGH AFFINITY INHIBITORS OF HEPATITIS C VIRUS NS3/4A PROTEASE THE JOHNS HOPKINS UNIVERSITY (US) 2009-10-01 WO disclosed