SCHEMBL9539302

SCHEMBL9539302

CN(C)C(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
USP7 Q93009 2/20 0.51
USP10 Q14694 1/20 0.51
USP47 Q96K76 1/20 0.51
GSTP1 P09211 1/20 0.47
GSTM2 P28161 1/20 0.47
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC6A4 P31645 2/20 0.41
ERN1 O75460 2/20 0.39
PDE7A Q13946 1/20 0.39
TTR P02766 1/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL9538420 0.86 USP7 (0.60) ALDH1A1USP7USP10USP47ATM
SCHEMBL9537312 0.85 USP7 (0.52) ALDH1A1LMNAUSP7USP10USP47
SCHEMBL9535526 0.84 USP7 (0.51) ALDH1A1LMNAUSP7USP10USP47
SCHEMBL9538237 0.84 USP7 (0.54) ALDH1A1USP7USP10USP47ATM
SCHEMBL9537206 0.83 USP7 (0.51) ALDH1A1USP7USP10USP47ATM
SCHEMBL9534810 0.83 USP7 (0.51) ALDH1A1LMNAUSP7USP10USP47
SCHEMBL9536466 0.81 USP7 (0.48) ALDH1A1LMNAUSP7USP10USP47
SCHEMBL9536970 0.81 HTT (0.56) ALDH1A1USP7USP10USP47ATM
SCHEMBL9534191 0.81 GSTP1 (0.50) ALDH1A1LMNAUSP7USP10USP47
SCHEMBL9535727 0.80 ALDH1A1 (0.40) ALDH1A1LMNAUSP7USP10USP47

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed