SCHEMBL8561732

SCHEMBL8561732

O=[N+]([O-])c1c(C2CC2)nc2ccccc2c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 0.43
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CYP3A4 P08684 1/20 0.39
RXRA P19793 2/20 0.38
POLB P06746 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 5/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
GLA P06280 2/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 1/20 0.36
S100A4 P26447 1/20 0.35

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
SCHEMBL8563673 0.82 CYP3A4 (0.36) BCHEACHECYP3A4POLBTDP1
SCHEMBL4936203 0.78 PRKAA2 (0.51) PRKAA2BCHEACHERXRAPOLB
SCHEMBL8569473 0.77 BCHE (0.40) PRKAA2BCHEACHEPOLBTDP1
SCHEMBL8562847 0.75 ACHE (0.42) BCHEACHECYP3A4TDP1L3MBTL1
SCHEMBL12318214 0.74 RXRA (0.47) PRKAA2BCHEACHERXRAPOLB
SCHEMBL12318213 0.72 PRKAA2 (0.67) PRKAA2BCHEACHERXRAPOLB
SCHEMBL28188086 0.71 ABCG2 (0.49) CYP3A4POLBTDP1L3MBTL1MAPT
SCHEMBL20291524 0.70 CYP3A4 (0.61) ACHECYP3A4POLBTDP1L3MBTL1
SCHEMBL28217998 0.70 S100A4 (0.54) CYP3A4POLBTDP1L3MBTL1MAPT
SCHEMBL12318215 0.69 RXRA (0.52) PRKAA2BCHEACHERXRAPOLB

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-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed