SCHEMBL21001071

SCHEMBL21001071

O=[N+]([O-])c1cccc(F)c1N(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.47
GPR35 Q9HC97 2/20 0.45
HSPB1 P04792 2/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
S100A4 P26447 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
VCAM1 P19320 1/20 0.38
PDE10A Q9Y233 1/20 0.37

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
SCHEMBL27897201 0.85 TDP1 (0.47) TDP1GPR35HSPB1ALDH1A1TSHR
SCHEMBL27805782 0.83 TDP1 (0.45) TDP1GPR35HSPB1ALDH1A1TSHR
SCHEMBL21685488 0.79 TDP1 (0.45) TDP1GPR35ALDH1A1TSHRMEN1
SCHEMBL8313252 0.78 TDP1 (0.43) TDP1GPR35HSPB1ALDH1A1TSHR
SCHEMBL26119628 0.76 KMT2A (0.42) TDP1GPR35ALDH1A1TSHRMEN1
SCHEMBL29355089 0.75 TDP1 (0.54) TDP1GPR35HSPB1ALDH1A1TSHR
SCHEMBL307855 0.75 TDP1 (0.54) TDP1GPR35HSPB1ALDH1A1TSHR
SCHEMBL29482305 0.74 TDP1 (0.56) TDP1GPR35HSPB1ALDH1A1TSHR
SCHEMBL5828 0.74 TDP1 (0.56) TDP1GPR35HSPB1ALDH1A1TSHR
SCHEMBL12444133 0.74 TDP1 (0.56) TDP1GPR35HSPB1ALDH1A1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3713941-A1 PYRAZOLOPYRIDINONE COMPOUNDS Janssen Pharmaceutica NV (BE) 2020-09-30 EP disclosed
WO-2019101182-A1 PYRAZOLOPYRIDINONE COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-05-31 WO disclosed