SCHEMBL9535501

SCHEMBL9535501

COc1ccccc1Sc1cc(C(C)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
POLB P06746 2/20 0.56
ALDH1A1 P00352 8/20 0.55
LMNA P02545 1/20 0.55
PDE7A Q13946 4/20 0.47
GAA P10253 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAOB P27338 1/20 0.43
RECQL P46063 1/20 0.43
MITF O75030 1/20 0.43
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL9538378 0.82 USP7 (0.59) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL1341300 0.81 ALDH1A1 (0.66) MAPTL3MBTL1ALDH1A1LMNAPDE7A
SCHEMBL9537086 0.80 MAPT (0.80) MAPTL3MBTL1POLBALDH1A1PDE7A
SCHEMBL9535339 0.79 L3MBTL1 (0.51) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL9534662 0.79 MAPT (0.55) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL9657508 0.78 L3MBTL1 (0.64) MAPTL3MBTL1ALDH1A1LMNAGAA
SCHEMBL2946181 0.78 ALDH1A1 (0.60) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL9538420 0.76 USP7 (0.60) MAPTL3MBTL1POLBALDH1A1PDE7A
SCHEMBL30825381 0.75 ALDH1A1 (0.62) MAPTL3MBTL1POLBALDH1A1LMNA
SCHEMBL4337680 0.75 ALDH1A1 (0.62) MAPTL3MBTL1POLBALDH1A1LMNA

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