SCHEMBL8564380

SCHEMBL8564380

Nc1cc(C2CCNCC2)c([N+](=O)[O-])cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
RECQL P46063 1/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
CDK2 P24941 1/20 0.36
ALK Q9UM73 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
PRKCQ Q04759 1/20 0.34
PLAT P00750 2/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR6 P50406 2/20 0.33
HTR1A P08908 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL8567277 0.74 HTR6 (0.35) MAPTRECQLMKNK1MKNK2HRH4
SCHEMBL6672459 0.74 MAPT (0.47) MAPTRECQLCYP3A4ALDH1A1HTR6
SCHEMBL25199417 0.71 IGF1R (0.38) MAPTCDK2CYP3A4CYP2C9PRKCQ
SCHEMBL21081167 0.71 HTR2C (0.46) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL8560822 0.71 MEN1 (0.43) MAPTMKNK1MKNK2ALDH1A1HTR6
SCHEMBL23047424 0.71 NOS3 (0.44) MKNK1MKNK2CDK2TLR9TLR8
SCHEMBL8564866 0.70 EGFR (0.41) MAPTRECQLCYP3A4CYP2C9ALDH1A1
Hydrochloric Acid SCHEMBL6493109 0.70 MAPT (0.45) MAPTRECQLCYP3A4ALDH1A1HTR6
Hydrochloric Acid SCHEMBL21045940 0.70 HTR2C (0.47) MKNK1MKNK2TLR9TLR8TLR7
SCHEMBL8567927 0.70 PIM1 (0.36) MAPTRECQLCDK2TLR9TLR8

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