SCHEMBL8565369

SCHEMBL8565369

Nc1cc(OC(F)F)c([N+](=O)[O-])cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
PIN1 Q13526 2/20 0.35
EGFR P00533 2/20 0.34
PDE4A P27815 1/20 0.34
HTT P42858 3/20 0.34
LMNA P02545 3/20 0.34
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
CCR6 P51684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL29179660 0.79 HTT (0.45) MAPTPIN1HTTLMNAALDH1A1
SCHEMBL8561747 0.78 MAPT (0.37) MAPTPIN1EGFRHTTLMNA
SCHEMBL8564866 0.77 EGFR (0.41) MAPTEGFRHTTLMNAALDH1A1
SCHEMBL9327435 0.76 MAPT (0.49) MAPTPIN1HTTLMNAALDH1A1
SCHEMBL28115052 0.73 TDP1 (0.46) MAPTEGFRHTTLMNAALDH1A1
SCHEMBL29791325 0.73 PDE4A (0.39) PDE4A
SCHEMBL8560385 0.73 ALDH1A1 (0.43) MAPTHTTLMNAALDH1A1RAB9A
SCHEMBL27175992 0.73 TDP1 (0.40) MAPTPIN1LMNAALDH1A1TDP1
SCHEMBL8597281 0.73 SMN1; SMN2 (0.47) MAPTLMNAALDH1A1RAB9AL3MBTL1
SCHEMBL5252473 0.72 TDP1 (0.48) MAPTEGFRHTTLMNAALDH1A1

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