SCHEMBL8559943

SCHEMBL8559943

Nc1cc(F)c([N+](=O)[O-])c(C2CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
RAB9A P51151 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
XBP1 P17861 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL31672776 0.75 ALDH1A1 (0.41) MEN1KMT2ARAB9AMAPTSMN1; SMN2
SCHEMBL3392008 0.71 ATM (0.34) MEN1KMT2AATMGRIN2DGRIN3B
SCHEMBL29974026 0.70 CCNA2 (0.48) MEN1KMT2AATMRAB9ANPC1
SCHEMBL28877937 0.70 CCNA2 (0.48) MEN1KMT2AATMRAB9ANPC1
SCHEMBL31706936 0.70 ATM (0.39) ATMGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL28279035 0.69 CCNA2 (0.38) KMT2ARAB9AMAPTSMN1; SMN2NPC1
SCHEMBL27861816 0.68 CCNA2 (0.37) MEN1KMT2AATMRAB9AMAPT
SCHEMBL31631890 0.66 BACE1 (0.39) MAPTSMN1; SMN2NOS3NOS1NOS2
SCHEMBL1708265 0.66 TDP1 (0.45) MEN1KMT2AATMGRIN2DGRIN3B
SCHEMBL29745076 0.66 TDP1 (0.45) MEN1KMT2AATMGRIN2DGRIN3B

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