SCHEMBL8564951

SCHEMBL8564951

Nc1cnc([N+](=O)[O-])c(OC(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
CCR6 P51684 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PDE4B Q07343 2/20 0.31
RXRA P19793 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
PDE4A P27815 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
SCHEMBL30271367 0.83 S1PR4 (0.36) ALDH1A1MEN1LMNAGAAMAPT
SCHEMBL19754794 0.81 MAPT (0.36) ALDH1A1HPGDMEN1LMNAGAA
SCHEMBL8563266 0.81 ALDH1A1 (0.36) ALDH1A1HPGDALOX15MEN1MAPT
SCHEMBL27313759 0.79 NPC1 (0.36) ALDH1A1HPGDMEN1MAPTHTT
SCHEMBL8561264 0.73 S1PR4 (0.39) ALDH1A1HPGDMEN1LMNAMAPT
SCHEMBL8562235 0.72 TDP1 (0.48) ALDH1A1HPGDALOX15MEN1LMNA
SCHEMBL8568828 0.72 TDP1 (0.48) ALDH1A1HPGDALOX15MEN1MAPT
SCHEMBL8560413 0.72 KMT2A (0.33) ALDH1A1MEN1LMNAGAAMAPT
SCHEMBL8565369 0.72 MAPT (0.37) ALDH1A1ALOX15MEN1LMNAGAA
SCHEMBL19754795 0.72 AAK1 (0.38) MEN1LMNAGAAMAPTXBP1

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