SCHEMBL8560413

SCHEMBL8560413

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 5/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
BACE1 P56817 2/20 0.32
S1PR4 O95977 1/20 0.32
ROCK1 Q13464 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PDE4B Q07343 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8567775 0.78 MAPT (0.41) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8568195 0.78 KMT2A (0.36) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8563924 0.78 KMT2A (0.50) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL1877935 0.74 NOS3 (0.42) MAPTRAB9ANPC1SMN1; SMN2BACE1
SCHEMBL8563136 0.73 IKBKB (0.45) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8562204 0.72 S1PR4 (0.38) MAPTLMNAS1PR4ROCK1KDM4E
SCHEMBL8141010 0.72 HTT (0.37) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8564951 0.72 ALDH1A1 (0.34) KMT2AMEN1MAPTRAB9ALMNA
SCHEMBL8601222 0.72 MAPT (0.42) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8566190 0.72 KMT2A (0.58) KMT2AMEN1MAPTRAB9ANPC1

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