SCHEMBL9657498

SCHEMBL9657498

N#Cc1ccc([N+](=O)[O-])c(Oc2ccc(F)cc2F)c1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 6/20 0.58
TDP1 Q9NUW8 2/20 0.50
ATM Q13315 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MERTK Q12866 1/20 0.45
VCAM1 P19320 1/20 0.44
SLC22A12 Q96S37 3/20 0.42
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AR P10275 1/20 0.40

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
SCHEMBL31522185 0.86 HSPB1 (0.70) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL14570718 0.85 VCAM1 (0.56) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL693017 0.82 MEN1 (0.56) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL9658125 0.80 HSPB1 (0.62) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL9655186 0.80 HSPB1 (0.62) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL1341961 0.79 HSPB1 (0.75) HSPB1TDP1ATMGAAL3MBTL1
SCHEMBL9655130 0.79 HSPB1 (0.57) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL8812343 0.78 TDP1 (0.62) HSPB1TDP1ATMMEN1KMT2A
SCHEMBL5112932 0.77 MEN1 (0.48) TDP1MEN1KMT2AMERTKVCAM1
SCHEMBL9657035 0.76 HSPB1 (0.58) HSPB1TDP1ATMMEN1KMT2A

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-0273369-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-03-04 EP disclosed
US-4866091-A ANTINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-09-12 US disclosed
EP-0273369-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-07-06 EP disclosed