SCHEMBL7571531

SCHEMBL7571531

COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
ALDH1A1 P00352 4/20 0.67
LMNA P02545 4/20 0.67
HPGD P15428 2/20 0.67
MEN1 O00255 3/20 0.67
MAPT P10636 3/20 0.67
KMT2A Q03164 3/20 0.67
MAPK1 P28482 2/20 0.67
HTT P42858 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.58
TDP1 Q9NUW8 1/20 0.58
IDH1 O75874 5/20 0.57
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RECQL P46063 1/20 0.55
PKM P14618 1/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.54
UBE2N P61088 1/20 0.53
BRD4 O60885 1/20 0.53

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
SCHEMBL2237430 0.87 ALPL (0.66) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL23832758 0.86 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL30218167 0.86 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL15661006 0.85 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1LMNAHPGDMEN1
SCHEMBL7580547 0.84 IDH1 (0.71) SMN1; SMN2L3MBTL1IDH1
SCHEMBL7571585 0.84 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1LMNAMEN1MAPT
SCHEMBL7571566 0.84 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1LMNAMEN1MAPT
SCHEMBL95317 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1LMNAMEN1MAPT
SCHEMBL7572373 0.84 L3MBTL1 (0.67) SMN1; SMN2ALDH1A1LMNAMEN1MAPT
SCHEMBL30927002 0.81 MAPT (0.82) SMN1; SMN2ALDH1A1LMNAMEN1MAPT

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