SCHEMBL8563266

SCHEMBL8563266

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

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
IDO1 P14902 1/20 0.33
S1PR4 O95977 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
POLB P06746 1/20 0.31
PRKCQ Q04759 1/20 0.31
MAPT P10636 3/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MEN1 O00255 1/20 0.31
MITF O75030 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL8564951 0.81 ALDH1A1 (0.34) ALDH1A1HPGDALOX15MAPTMEN1
SCHEMBL8569645 0.78 ALDH1A1 (0.42) ALDH1A1HPGDALOX15IDO1S1PR4
SCHEMBL8561264 0.75 S1PR4 (0.39) ALDH1A1HPGDS1PR4MAPTMEN1
SCHEMBL8568828 0.74 TDP1 (0.48) ALDH1A1HPGDALOX15POLBMAPT
SCHEMBL8562235 0.74 TDP1 (0.48) ALDH1A1HPGDALOX15POLBMAPT
SCHEMBL8568195 0.74 KMT2A (0.36) ALDH1A1S1PR4POLBPRKCQMAPT
SCHEMBL8561747 0.74 MAPT (0.37) ALDH1A1HPGDALOX15POLBPRKCQ
SCHEMBL8596671 0.74 SMN1; SMN2 (0.41) ALDH1A1POLBMAPTMEN1KMT2A
SCHEMBL29177457 0.74 MBOAT4 (0.33) IDO1MAPTKDM4EALOX5APFEN1
SCHEMBL2207272 0.73 TDP1 (0.53) ALDH1A1ALOX15POLBMAPTMEN1

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