SCHEMBL9536565

SCHEMBL9536565

CC(=O)c1ccc([N+](=O)[O-])c(Sc2cccs2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 4/20 0.54
▸ MAPT P10636 4/20 0.51
▸ POLB P06746 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MITF O75030 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39
▸ USP47 Q96K76 1/20 0.39
▸ MAOB P27338 1/20 0.39

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
SCHEMBL9537079 0.79 MAPT (0.43) PDE7AMAPTPOLBL3MBTL1KMT2A
SCHEMBL9537086 0.79 MAPT (0.80) PDE7AMAPTPOLBL3MBTL1KMT2A
SCHEMBL9537100 0.78 PDE7A (0.50) PDE7AMAPTPOLBL3MBTL1KMT2A
SCHEMBL8099370 0.76 PDE7A (0.67) PDE7AMAPTL3MBTL1KMT2AMEN1
SCHEMBL9536540 0.75 PDE7A (0.55) PDE7AMAPTKMT2AMEN1ALDH1A1
SCHEMBL9538378 0.75 USP7 (0.59) PDE7AMAPTPOLBL3MBTL1KMT2A
SCHEMBL9536992 0.75 MAPT (0.51) PDE7AMAPTPOLBL3MBTL1KMT2A
SCHEMBL9537682 0.74 MAPT (0.60) PDE7AMAPTPOLBL3MBTL1KMT2A
SCHEMBL9535213 0.73 PTGS2 (0.56) MAPTPOLBKMT2AMEN1ALDH1A1
SCHEMBL9538024 0.73 PDE7A (0.65) PDE7AMAPTPOLBL3MBTL1KMT2A

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
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