SCHEMBL8564337

SCHEMBL8564337

Nc1nc2ccccc2c(C(F)(F)F)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
MAPT P10636 6/20 0.40
MGMT P16455 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.40
ABCC8 Q09428 1/20 0.40
KCNJ11 Q14654 1/20 0.40
IGF1R P08069 1/20 0.38
ELANE P08246 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 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
SCHEMBL8567950 0.81 CYP3A4 (0.47) MAPTMGMTCYP3A4HPGDLMNA
SCHEMBL3953291 0.80 KDM4E (0.52) MAPTMGMTCYP3A4HPGDLMNA
SCHEMBL8570788 0.79 BACE1 (0.42) BACE1MAPTHPGDLMNAIGF1R
SCHEMBL8562792 0.79 MGMT (0.40) BACE1MAPTMGMTCYP3A4HPGD
SCHEMBL8568375 0.78 PDE10A (0.46) MAPTMGMTCYP3A4LMNAMEN1
SCHEMBL8562456 0.77 CYP3A4 (0.43) MAPTMGMTCYP3A4HPGDLMNA
SCHEMBL12518927 0.77 MAOA (0.48) MAPTMGMTCYP3A4HPGDLMNA
SCHEMBL8567514 0.77 S100A4 (0.54) MAPTMGMTCYP3A4HPGDLMNA
SCHEMBL8561217 0.77 ABCC8 (0.43) BACE1MAPTCYP3A4HPGDLMNA
SCHEMBL8564301 0.76 KDM4E (0.47) MAPTMGMTCYP3A4HPGDLMNA

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