SCHEMBL9537086

SCHEMBL9537086

CC(=O)c1ccc([N+](=O)[O-])c(Sc2ccccc2)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.80
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
POLB P06746 3/20 0.61
PDE7A Q13946 3/20 0.60
GAA P10253 1/20 0.56
ABCC9 O60706 1/20 0.56
ABCC8 Q09428 1/20 0.56
KCNJ11 Q14654 1/20 0.56
KCNJ8 Q15842 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.55
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
USP47 Q96K76 1/20 0.54
ALDH1A1 P00352 4/20 0.53
HPGD P15428 2/20 0.53
PDE7B Q9NP56 1/20 0.50
MITF O75030 1/20 0.49
MAPK1 P28482 1/20 0.49
AKR1C3 P42330 1/20 0.48

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
SCHEMBL9537682 0.86 MAPT (0.60) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL9538378 0.82 USP7 (0.59) MAPTMEN1KMT2APOLBPDE7A
Acetic Acid SCHEMBL8213274 0.80 MAPT (0.67) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL9538024 0.80 PDE7A (0.65) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL9535501 0.80 MAPT (0.56) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL9534662 0.79 MAPT (0.55) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL9536992 0.79 MAPT (0.51) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL18779398 0.79 MEN1 (0.74) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL9536565 0.79 PDE7A (0.54) MAPTMEN1KMT2APOLBPDE7A
SCHEMBL9537140 0.77 MAPT (0.57) MAPTMEN1KMT2APOLBPDE7A

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