SCHEMBL9537682

SCHEMBL9537682

CC(=O)c1ccc([N+](=O)[O-])c(Sc2ccc(Cl)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.60
PDE7A Q13946 9/20 0.59
KMT2A Q03164 3/20 0.57
ATM Q13315 1/20 0.57
USP7 Q93009 2/20 0.56
PADI4 Q9UM07 1/20 0.56
POLB P06746 3/20 0.53
BCL2L1 Q07817 2/20 0.53
MEN1 O00255 2/20 0.53
PLA2G4A P47712 1/20 0.50
PDE7B Q9NP56 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4D Q08499 1/20 0.46
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9537086 0.86 MAPT (0.80) MAPTPDE7AKMT2APOLBBCL2L1
SCHEMBL9535431 0.84 USP7 (0.60) MAPTPDE7AKMT2AATMUSP7
SCHEMBL4963975 0.82 PDE7A (0.82) MAPTPDE7AKMT2APOLBBCL2L1
SCHEMBL9538378 0.80 USP7 (0.59) MAPTPDE7AKMT2AATMUSP7
SCHEMBL2962041 0.78 PDE7A (0.65) MAPTPDE7AKMT2AUSP7PADI4
SCHEMBL9536561 0.77 MAPT (0.57) MAPTPDE7AKMT2AUSP7PADI4
SCHEMBL18779398 0.77 MEN1 (0.74) MAPTPDE7AKMT2APOLBMEN1
SCHEMBL9536992 0.77 MAPT (0.51) MAPTPDE7AKMT2AATMUSP7
SCHEMBL16327556 0.77 MAPT (0.78) MAPTPDE7AKMT2APOLBBCL2L1
SCHEMBL1923978 0.77 BCL2L1 (0.74) MAPTPDE7AKMT2APOLBBCL2L1

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