SCHEMBL7580401

SCHEMBL7580401

Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2NS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.70
CA2 P00918 2/20 0.70
CA4 P22748 2/20 0.70
CA7 P43166 2/20 0.70
CA9 Q16790 2/20 0.70
KEAP1 Q14145 1/20 0.66
NFE2L2 Q16236 1/20 0.66
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
USP2 O75604 1/20 0.61
POLB P06746 1/20 0.61
MAPT P10636 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
NOD2 Q9HC29 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
FFAR4 Q5NUL3 2/20 0.59
APP P05067 1/20 0.59
GAA P10253 1/20 0.58
GFER P55789 1/20 0.58

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
SCHEMBL7574222 0.92 APP (0.73) CA1CA2CA4CA7CA9
SCHEMBL7579899 0.92 CA1 (0.60) CA1CA2CA4CA7CA9
SCHEMBL12768024 0.90 FFAR4 (0.61) CA1CA2CA4CA7CA9
SCHEMBL7579963 0.89 METAP2 (0.69) CA1CA2CA4CA7CA9
SCHEMBL29048726 0.87 FFAR4 (0.77) CA1CA2CA4CA7CA9
SCHEMBL12768020 0.87 FFAR4 (0.81) KEAP1NFE2L2ALDH1A1FFAR4
SCHEMBL7595414 0.86 ALDH1A1 (0.70) CA1CA2CA4CA7CA9
SCHEMBL15830514 0.86 KEAP1 (0.58) CA1CA2CA4CA7CA9
SCHEMBL5956006 0.86 KEAP1 (0.58) CA1CA2CA4CA7CA9
SCHEMBL5956021 0.86 APP (0.66) KEAP1NFE2L2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed