SCHEMBL9535494

SCHEMBL9535494

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

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 2/20 0.43
HTT P42858 1/20 0.43
USP10 Q14694 1/20 0.43
USP47 Q96K76 1/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 1/20 0.39
CLPP Q16740 2/20 0.38
PPARG P37231 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 1/20 0.35

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
SCHEMBL9536970 0.87 HTT (0.56) USP7HTTUSP10USP47ALDH1A1
SCHEMBL9537379 0.84 ALDH1A1 (0.37) HTTALDH1A1HPGDPPARGMAPT
SCHEMBL9536466 0.83 USP7 (0.48) USP7HTTUSP10USP47ALDH1A1
SCHEMBL9537206 0.81 USP7 (0.51) USP7HTTUSP10USP47ALDH1A1
SCHEMBL9535499 0.81 L3MBTL1 (0.52) USP7USP10USP47ALDH1A1MEN1
Diethylamine SCHEMBL9535505 0.80 USP7 (0.46) USP7HTTUSP10USP47ALDH1A1
Hydrochloric Acid SCHEMBL9539504 0.79 PTGS2 (0.44) HTTALDH1A1GAAKDM4EPOLB
SCHEMBL9534810 0.79 USP7 (0.51) USP7HTTUSP10USP47ALDH1A1
SCHEMBL9538420 0.78 USP7 (0.60) USP7USP10USP47ALDH1A1MEN1
SCHEMBL9539302 0.77 ALDH1A1 (0.53) USP7HTTUSP10USP47ALDH1A1

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-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