SCHEMBL6563603

SCHEMBL6563603

COc1ccc(S(=O)(=O)Nc2ccccc2N(C)C(=O)C2CCCNC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 6/20 0.45
CDK9 P50750 1/20 0.44
LMNA P02545 4/20 0.43
HPGD P15428 3/20 0.43
NFE2L2 Q16236 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
SQSTM1 Q13501 1/20 0.43
HTT P42858 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 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
SCHEMBL7943813 0.82 ALDH1A1 (0.57) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL6563635 0.72 KEAP1 (0.50) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL6561784 0.72 ALDH1A1 (0.72) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL6562107 0.72 ALDH1A1 (0.69) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL7957195 0.72 ALDH1A1 (0.58) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL6561684 0.71 ALDH1A1 (0.71) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL7952653 0.70 GAA (0.51) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL7950725 0.70 GAA (0.51) KEAP1LMNAHPGDNFE2L2ALDH1A1
SCHEMBL287259 0.70 KMT2A (0.40) LMNAHPGDALDH1A1TP53HTT
SCHEMBL6560637 0.69 KMT2A (0.65) KEAP1LMNAHPGDNFE2L2ALDH1A1

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