SCHEMBL7592196

SCHEMBL7592196

Cc1cc(NS(=O)(=O)c2cc(Cl)sc2Cl)c(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.63
CCNB1 P14635 2/20 0.63
CCNA2 P20248 2/20 0.63
CCND1 P24385 2/20 0.63
CDK2 P24941 2/20 0.63
CDK7 P50613 2/20 0.63
CCNH P51946 2/20 0.63
CCNA1 P78396 2/20 0.63
CDK6 Q00534 2/20 0.63
S100A9 P06702 4/20 0.57
TDP1 Q9NUW8 1/20 0.51
ACLY P53396 1/20 0.50
PFKFB3 Q16875 1/20 0.47
APP P05067 1/20 0.47
CYP2C9 P11712 1/20 0.46
PIK3C3 Q8NEB9 1/20 0.46
SGK1 O00141 2/20 0.43
TYMS P04818 1/20 0.42
PKM P14618 1/20 0.41
GAA P10253 1/20 0.38

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
SCHEMBL7594749 0.92 CDK1 (0.58) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL7589357 0.83 S100A9 (0.57) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL7573932 0.81 CDK1 (0.74) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL7593518 0.81 ACLY (0.61) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL31060131 0.78 CDK1 (1.00) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL7573900 0.77 CDK1 (0.72) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL5354184 0.77 CDK1 (0.58) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL16926608 0.76 PIK3C3 (0.56) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL7589604 0.75 S100A9 (0.51) CDK1CCNB1CCNA2CCND1CDK2
SCHEMBL7579927 0.73 CDK1 (0.72) CDK1CCNB1CCNA2CCND1CDK2

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