SCHEMBL7572540

SCHEMBL7572540

COc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.58
GAA P10253 1/20 0.58
KEAP1 Q14145 3/20 0.54
NFE2L2 Q16236 2/20 0.54
SQSTM1 Q13501 1/20 0.54
FFAR4 Q5NUL3 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
LMNA P02545 5/20 0.52
TSHR P16473 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
JAK2 O60674 1/20 0.52
KDM1A O60341 1/20 0.51
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLAU P00749 1/20 0.49

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
SCHEMBL7577285 0.86 FFAR4 (0.59) KMT2AGAAKEAP1NFE2L2SQSTM1
SCHEMBL7572438 0.85 SLC20A2 (0.63) KMT2AGAAKEAP1NFE2L2FFAR4
SCHEMBL7571563 0.84 STAT3 (0.61) KMT2AKEAP1NFE2L2SQSTM1FFAR4
SCHEMBL7572445 0.82 KEAP1 (0.59) KMT2AGAAKEAP1NFE2L2SQSTM1
SCHEMBL5955298 0.82 FFAR4 (0.71) KMT2AGAAKEAP1NFE2L2SQSTM1
SCHEMBL30434597 0.81 KMT2A (0.68) KMT2AGAAKEAP1NFE2L2FFAR4
SCHEMBL5955289 0.80 KEAP1 (0.53) KMT2AGAAKEAP1NFE2L2SQSTM1
SCHEMBL7572555 0.80 CYP2C9 (0.60) KMT2AMEN1MAPK1LMNATSHR
SCHEMBL23141255 0.80 KDM1A (0.74) KMT2AGAAKEAP1NFE2L2SQSTM1
SCHEMBL5956219 0.80 KEAP1 (0.63) KMT2AGAAKEAP1NFE2L2SQSTM1

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