SCHEMBL6440652

SCHEMBL6440652

Cc1cccc(C(=O)O)c1S(=O)(=O)NC(=O)Nc1nc(OC(F)(F)F)cc(OC(F)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
CDK1 P06493 1/20 0.38
FBP1 P09467 1/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
IDH1 O75874 1/20 0.36
KMT2A Q03164 2/20 0.35
ACLY P53396 1/20 0.35
SORT1 Q99523 1/20 0.35
ALOX15 P16050 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL6313355 0.88 GAA (0.57) GAACDK1TP53GLAMAPT
SCHEMBL8463975 0.86 GAA (0.47) GAACDK1FBP1TP53GLA
SCHEMBL28433647 0.83 GAA (0.45) GAACDK1MAPTKMT2AALDH1A1
SCHEMBL10984018 0.82 GAA (0.60) GAACDK1TP53GLAMAPT
SCHEMBL4047516 0.82 GAA (0.45) GAAKMT2AACLYALOX15ALDH1A1
SCHEMBL11072814 0.80 KMT2A (0.40) GAAKMT2AACLYALOX15ALDH1A1
SCHEMBL3633898 0.80 GAA (0.47) GAACDK1TP53GLAMAPT
SCHEMBL694106 0.77 GAA (0.41) GAACDK1TP53MAPTKMT2A
SCHEMBL3500652 0.77 GAA (0.48) GAACDK1MAPTKMT2AMEN1
SCHEMBL7932024 0.77 GAA (0.53) GAACDK1TP53GLAMAPT

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-1536685-A1 PROCESS FOR PREPARING PASTE-EXTRUDED SULFONAMIDE COMPOSITIONS E.I. du Pont de Nemours and Company (US) 2005-06-08 EP disclosed
WO-2004023876-A1 PROCESS FOR PREPARING PASTE-EXTRUDED SULFONAMIDE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2004-03-25 WO disclosed