SCHEMBL9537100

SCHEMBL9537100

CC(=O)c1ccc([N+](=O)[O-])c(Sc2nccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.50
MAPT P10636 5/20 0.46
POLB P06746 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGAM O43451 2/20 0.41
GAA P10253 2/20 0.41
SI P14410 2/20 0.41
MGAM2 Q2M2H8 2/20 0.41
ALDH1A1 P00352 3/20 0.40
KMT2A Q03164 6/20 0.40
MEN1 O00255 3/20 0.40
MITF O75030 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
APEX1 P27695 1/20 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
SCHEMBL9535794 0.80 CREBBP (0.40) PDE7AMAPTPOLBL3MBTL1GAA
SCHEMBL9536565 0.78 PDE7A (0.54) PDE7AMAPTPOLBL3MBTL1ALDH1A1
SCHEMBL9538024 0.77 PDE7A (0.65) PDE7AMAPTPOLBL3MBTL1GAA
SCHEMBL2681680 0.74 USP47 (0.58) MGAMGAASIMGAM2ALDH1A1
SCHEMBL9537086 0.74 MAPT (0.80) PDE7AMAPTPOLBL3MBTL1GAA
SCHEMBL9534943 0.74 PTGS2 (0.54) ALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL9049842 0.73 HPGD (0.56) L3MBTL1ALDH1A1SMN1; SMN2LMNANPC1
SCHEMBL27533304 0.73 TXNRD1 (0.62) PDE7AMAPTMGAMGAASI
SCHEMBL9536992 0.73 MAPT (0.51) PDE7AMAPTPOLBL3MBTL1GAA
SCHEMBL14419317 0.72 FBP1 (0.42) MAPTPOLBMGAMGAASI

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