SCHEMBL6561774

SCHEMBL6561774

COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2nc(C)oc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.53
LMNA P02545 8/20 0.50
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 2/20 0.50
HPGD P15428 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49

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
SCHEMBL6561761 0.83 KEAP1 (0.53) KEAP1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6562122 0.79 ALOX15 (0.54) KEAP1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6561650 0.79 KEAP1 (0.53) KEAP1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8625192 0.78 F10 (0.67) KEAP1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8627655 0.78 KEAP1 (0.67) KEAP1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL6562129 0.77 LMNA (0.55) KEAP1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8626468 0.77 SMN1; SMN2 (0.69) KEAP1LMNAALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8626109 0.77 CCR9 (0.66) KEAP1SMN1; SMN2HPGDTUBB4ATUBB
SCHEMBL8626209 0.76 LMNA (0.72) KEAP1LMNAALDH1A1SMN1; SMN2HTT
SCHEMBL8622964 0.76 LMNA (0.57) KEAP1LMNAALDH1A1SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990645-B1 NOVEL SULFONAMIDE DERIVATIVES NIPPON KAYAKU KK (JP) 2004-07-28 EP disclosed
US-6180796-B1 TUBULIN POLYMERIZATION INHIBITORS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-01-30 US disclosed
EP-0990645-A1 NOVEL SULFONAMIDE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-05 EP disclosed