SCHEMBL6563645

SCHEMBL6563645

CCCOc1ccc(S(=O)(=O)Nc2ccccc2N)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 3/20 0.56
SQSTM1 Q13501 1/20 0.56
NFE2L2 Q16236 1/20 0.56
LMNA P02545 5/20 0.55
NPSR1 Q6W5P4 1/20 0.55
PKM P14618 1/20 0.54
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA7 P43166 1/20 0.54
CA9 Q16790 1/20 0.54
HTT P42858 4/20 0.52
TSHR P16473 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CACNA1H O95180 2/20 0.50
CACNA1B Q00975 2/20 0.50

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
SCHEMBL27529515 0.94 MAPT (0.51) KEAP1SQSTM1NFE2L2LMNANPSR1
SCHEMBL6561666 0.89 SQSTM1 (0.70) KEAP1SQSTM1NFE2L2LMNANPSR1
Phenetole SCHEMBL28744754 0.82 SQSTM1 (0.60) KEAP1SQSTM1NFE2L2LMNANPSR1
SCHEMBL6560643 0.81 KEAP1 (0.70) KEAP1SQSTM1NFE2L2LMNAHTT
SCHEMBL5595259 0.79 PGR (0.59) KEAP1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL398000 0.76 LMNA (0.70) KEAP1NFE2L2LMNACA12CA1
SCHEMBL2068236 0.76 ALDH1A1 (0.58) KEAP1PKMCA12CA1CA2
SCHEMBL30737452 0.76 ALDH1A1 (0.58) KEAP1PKMCA12CA1CA2
SCHEMBL14601531 0.76 PKM (0.56) KEAP1SQSTM1NFE2L2LMNANPSR1
SCHEMBL27770315 0.75 WDR5 (0.72) LMNAHTTTSHRSMN1; SMN2KDM4E

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