SCHEMBL7571566

SCHEMBL7571566

Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
IDH1 O75874 6/20 0.55
MEN1 O00255 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
PDE2A O00408 1/20 0.52
PDE5A O76074 1/20 0.52
CYP3A4 P08684 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
APEX1 P27695 1/20 0.52
PDE4A P27815 1/20 0.52
BLM P54132 1/20 0.52
PDE1B Q01064 1/20 0.52
PMP22 Q01453 1/20 0.52
PDE4B Q07343 1/20 0.52

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
SCHEMBL95317 0.86 SMN1; SMN2 (0.60) SMN1; SMN2L3MBTL1IDH1MEN1LMNA
SCHEMBL7580547 0.86 IDH1 (0.71) SMN1; SMN2L3MBTL1IDH1
SCHEMBL7571585 0.86 ALDH1A1 (0.66) SMN1; SMN2L3MBTL1IDH1MEN1LMNA
SCHEMBL23832727 0.86 CA2 (0.48) IDH1MEN1LMNAMAPTKMT2A
SCHEMBL30218187 0.86 CA2 (0.48) IDH1MEN1LMNAMAPTKMT2A
SCHEMBL7572373 0.86 L3MBTL1 (0.67) SMN1; SMN2L3MBTL1IDH1MEN1LMNA
SCHEMBL7571531 0.84 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1IDH1MEN1LMNA
SCHEMBL25754729 0.83 LMNA (0.67) SMN1; SMN2L3MBTL1MEN1LMNAMAPT
SCHEMBL15658306 0.82 GUSB (0.56) SMN1; SMN2MEN1LMNAKMT2AALDH1A1
SCHEMBL25754750 0.81 MEN1 (0.51) SMN1; SMN2L3MBTL1IDH1MEN1LMNA

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