SCHEMBL8567076

SCHEMBL8567076

O=[N+]([O-])c1cnc2ccccc2c1/C=C/Cl

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
ERN1 O75460 1/20 0.43
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
PIN1 Q13526 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 3/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL8567079 1.00 POLB (0.46) POLBERN1KMT2AMEN1MAPT
SCHEMBL8562157 0.85 POLB (0.44) POLBERN1KMT2AMEN1MAPT
SCHEMBL8569251 0.80 POLB (0.40) POLBERN1KMT2AMEN1MAPT
SCHEMBL8569255 0.80 POLB (0.40) POLBERN1KMT2AMEN1MAPT
SCHEMBL202663 0.78 POLB (0.51) POLBKMT2AMEN1MAPTNCOA1
SCHEMBL29381779 0.78 POLB (0.51) POLBKMT2AMEN1MAPTNCOA1
SCHEMBL31197366 0.76 POLB (0.50) POLBKMT2AMEN1MAPTNCOA1
Ammonia Solution, Strong SCHEMBL27736895 0.76 POLB (0.50) POLBKMT2AMEN1MAPTNCOA1
Hydrochloric Acid SCHEMBL3867195 0.76 POLB (0.50) POLBKMT2AMEN1MAPTNCOA1
SCHEMBL8561101 0.76 POLB (0.53) POLBKMT2AMEN1MAPTNCOA1

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