SCHEMBL5227914

SCHEMBL5227914

O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)sc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.53
CCNB1 P14635 2/20 0.53
CCNA2 P20248 2/20 0.53
CDK2 P24941 2/20 0.53
CDK7 P50613 2/20 0.53
CCNH P51946 2/20 0.53
CCNA1 P78396 2/20 0.53
CCND1 P24385 1/20 0.53
CDK6 Q00534 1/20 0.53
FFAR1 O14842 1/20 0.51
FFAR4 Q5NUL3 1/20 0.51
MAPT P10636 6/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
LMNA P02545 1/20 0.48
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL5230424 0.89 ALDH1A1 (0.49) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL5227928 0.88 MEN1 (0.50) FFAR4MAPTHTTALDH1A1HPGD
SCHEMBL5228196 0.84 CA12 (0.49) FFAR4MAPTHTTALDH1A1TDP1
SCHEMBL5232901 0.81 MAPK1 (0.46) MAPTALDH1A1HPGDTDP1LMNA
SCHEMBL7997885 0.81 L3MBTL1 (0.40) FFAR4MAPTHTTALDH1A1TDP1
SCHEMBL5231082 0.79 ALDH1A1 (0.43) MAPTHTTALDH1A1HPGDTDP1
SCHEMBL5237280 0.79 CES1 (0.49) MAPTALDH1A1TDP1LMNAMAPK1
SCHEMBL27176648 0.78 L3MBTL1 (0.61) CDK1CCNB1CCNA2CDK2CDK7
SCHEMBL5228023 0.78 CA2 (0.49) FFAR4MAPTHTTALDH1A1HPGD
SCHEMBL5232126 0.78 EPAS1 (0.40) FFAR4MAPTHTTALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed