SCHEMBL6561666

SCHEMBL6561666

CCOc1ccc(S(=O)(=O)Nc2ccccc2N)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQSTM1 Q13501 3/20 0.70
KEAP1 Q14145 3/20 0.70
NFE2L2 Q16236 3/20 0.70
LMNA P02545 7/20 0.69
NPSR1 Q6W5P4 3/20 0.69
KMT2A Q03164 4/20 0.63
MEN1 O00255 3/20 0.63
MAPT P10636 3/20 0.63
HTT P42858 4/20 0.63
GAA P10253 2/20 0.63
TDP1 Q9NUW8 2/20 0.63
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 1/20 0.53

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
Phenetole SCHEMBL28744754 0.92 SQSTM1 (0.60) SQSTM1KEAP1NFE2L2LMNANPSR1
SCHEMBL6563645 0.89 KEAP1 (0.56) SQSTM1KEAP1NFE2L2LMNANPSR1
SCHEMBL28109026 0.84 KEAP1 (0.72) SQSTM1KEAP1NFE2L2LMNANPSR1
SCHEMBL24813021 0.84 KEAP1 (0.85) SQSTM1KEAP1NFE2L2LMNANPSR1
SCHEMBL6560643 0.84 KEAP1 (0.70) SQSTM1KEAP1NFE2L2LMNAKMT2A
SCHEMBL27529515 0.83 MAPT (0.51) SQSTM1KEAP1NFE2L2LMNANPSR1
SCHEMBL5595259 0.81 PGR (0.59) KEAP1LMNAKMT2AMEN1MAPT
SCHEMBL8752453 0.79 KMT2A (0.91) SQSTM1KEAP1NFE2L2LMNANPSR1
SCHEMBL398000 0.79 LMNA (0.70) KEAP1NFE2L2LMNAKMT2AMEN1
SCHEMBL30737452 0.78 ALDH1A1 (0.58) KEAP1KMT2AMEN1MAPTHTT

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 4 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-6458960-B1 ANTICANCER AGENTS, RHEUMATIC DISEASES AND ANTIINFLAMMATORY AGENTS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-10-01 US 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