SCHEMBL9997263

SCHEMBL9997263

O=C(O)c1ccc(NS(=O)(=O)Cc2cccc(-c3cccc(F)c3)c2F)cc1O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 5/20 0.56
SIRT5 Q9NXA8 1/20 0.43
DCLRE1B Q9H816 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
MCL1 Q07820 1/20 0.40
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL9997474 0.79 PFKFB3 (0.60) PFKFB3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9997220 0.75 PFKFB3 (0.80) PFKFB3SIRT5ALDH1A1MEN1KMT2A
SCHEMBL28657437 0.74 PFKFB3 (0.59) PFKFB3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL28657585 0.73 PFKFB3 (0.64) PFKFB3SIRT5DCLRE1BALDH1A1MEN1
SCHEMBL9996898 0.73 ACLY (0.63) PFKFB3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9997006 0.73 PFKFB3 (0.53) PFKFB3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL28637116 0.73 ACLY (0.50) PFKFB3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9997434 0.73 PFKFB3 (0.69) PFKFB3SIRT5ALDH1A1MEN1KMT2A
SCHEMBL9997270 0.72 ACLY (0.58) PFKFB3ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL9997243 0.72 ACLY (0.52) PFKFB3ALDH1A1MEN1KMT2AHSD17B10

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
WO-2011161201-A1 BISARYLSULFONAMIDES USEFUL AS KINASE INHIBITORS IN THE TREATMENT OF INFLAMMATION AND CANCER KANCERA AB (SE) 2011-12-29 WO disclosed