SCHEMBL6561737

SCHEMBL6561737

COc1ccc(S(=O)(=O)Nc2ccccc2NC(=O)c2c(C)noc2C(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 2/20 0.49
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48
TUBA4A P68366 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBA3E Q6PEY2 1/20 0.48
TUBA1A Q71U36 1/20 0.48
TUBA1C Q9BQE3 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
HDAC3 O15379 3/20 0.48
HDAC1 Q13547 3/20 0.48

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
SCHEMBL6562122 0.88 ALOX15 (0.54) KEAP1TP53POLBTUBB4ATUBB
SCHEMBL6563188 0.84 KEAP1 (0.49) KEAP1TP53POLBTUBB4ATUBB
SCHEMBL6563164 0.84 ALDH1A1 (0.54) KEAP1TP53POLBTUBB4ATUBB
SCHEMBL6563185 0.78 TDP1 (0.53) KEAP1TP53TUBB4ATUBBTUBA3C
SCHEMBL6561733 0.78 TSHR (0.64) TP53POLBALDH1A1HSD17B10LMNA
SCHEMBL6561679 0.77 ALDH1A1 (0.49) KEAP1TP53TUBB4ATUBBTUBA3C
SCHEMBL6561650 0.76 KEAP1 (0.53) KEAP1TP53POLBTUBB4ATUBB
SCHEMBL8622964 0.75 LMNA (0.57) KEAP1TP53POLBTUBB4ATUBB
SCHEMBL8625192 0.75 F10 (0.67) KEAP1TP53TUBB4ATUBBTUBA3C
SCHEMBL8626226 0.75 ALDH1A1 (0.78) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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