SCHEMBL8564386

SCHEMBL8564386

Nc1c([N+](=O)[O-])ccnc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
POLB P06746 2/20 0.38
ALOX15 P16050 1/20 0.38
EGFR P00533 1/20 0.38
PDE10A Q9Y233 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CTSB P07858 1/20 0.38
GAA P10253 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK1 P49759 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL9674605 0.82 NOS3 (0.43) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL8141010 0.82 HTT (0.37) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL28150861 0.78 TSHR (0.43) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL3218043 0.78 NOS3 (0.50) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL18474451 0.78 ALDH1A1 (0.39) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL8567050 0.78 ROCK1 (0.34) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL3709618 0.78 GAA (0.39) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL27890818 0.78 TSHR (0.42) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL27912760 0.76 TDP1 (0.48) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL8565247 0.74 ALDH1A1 (0.41) ALDH1A1MAPTTDP1MEN1KMT2A

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