SCHEMBL8564625

SCHEMBL8564625

Nc1c([N+](=O)[O-])nc2ccccc2c1OC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
KDM4E B2RXH2 4/20 0.38
GLA P06280 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TDP1 Q9NUW8 3/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
NQO2 P16083 1/20 0.38
MAOA P21397 1/20 0.38
DRD1 P21728 1/20 0.38
ACHE P22303 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 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
SCHEMBL8562792 0.81 MGMT (0.40) MAPTKDM4EGLASMN1; SMN2TDP1
SCHEMBL8565124 0.81 KDM4E (0.38) MAPTKDM4EGLASMN1; SMN2ALDH1A1
SCHEMBL8570788 0.79 BACE1 (0.42) MAPTKDM4EGLASMN1; SMN2ALDH1A1
SCHEMBL8564523 0.78 KDM4E (0.53) MAPTKDM4EGLASMN1; SMN2ALDH1A1
SCHEMBL8567582 0.77 MGMT (0.48) MAPTSMN1; SMN2ALDH1A1HPGDACHE
SCHEMBL8565786 0.77 SMN1; SMN2 (0.39) MAPTKDM4EGLASMN1; SMN2ALDH1A1
SCHEMBL8561287 0.75 POLB (0.42) MAPTSMN1; SMN2ALDH1A1RAB9AKMT2A
SCHEMBL8561932 0.75 KDM4E (0.46) MAPTKDM4EGLASMN1; SMN2ALDH1A1
SCHEMBL8597821 0.74 LMNA (0.43) MAPTSMN1; SMN2ALDH1A1ACHEKMT2A
SCHEMBL8560976 0.74 ALDH1A1 (0.44) MAPTKDM4EGLASMN1; SMN2ALDH1A1

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