SCHEMBL10589352

SCHEMBL10589352

Nc1nc2ccccc2c(CC2CCCCC2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ATM Q13315 3/20 0.45
GSK3A P49840 1/20 0.45
GSK3B P49841 1/20 0.45
BLM P54132 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
APP P05067 1/20 0.43
CYP3A4 P08684 1/20 0.41
TLR7 Q9NYK1 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 1/20 0.38
MGMT P16455 1/20 0.38
MAPK1 P28482 1/20 0.37
BACE1 P56817 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL8566816 0.78 MAPT (0.43) MEN1KMT2ACDK5CDK5R1CYP3A4
SCHEMBL8562265 0.77 MAPT (0.48) KMT2AMAPTMGMTMAPK1ALDH1A1
SCHEMBL8599452 0.74 MAPT (0.43) MEN1KMT2AATMGSK3AGSK3B
SCHEMBL8567950 0.74 CYP3A4 (0.47) MEN1KMT2ACYP3A4MAPTMGMT
SCHEMBL8596689 0.72 TLR8 (0.61) ATMTLR7MAPTALDH1A1
SCHEMBL8564398 0.72 POLB (0.43) MEN1KMT2ATLR7MAPTMGMT
SCHEMBL27842115 0.72 TLR8 (0.45) MEN1KMT2ACDK5CDK5R1MAPT
SCHEMBL3953291 0.72 KDM4E (0.52) MEN1KMT2ACYP3A4MAPTMGMT
Ammonia Solution, Strong SCHEMBL5858299 0.71 MEN1 (0.38) MEN1KMT2AATMGSK3AGSK3B
SCHEMBL8567514 0.70 S100A4 (0.54) MEN1KMT2ACDK5CDK5R1CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310950-A1 Quinoline intermediates for the synthesis of 1H-imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amimes RIKER LABORATORIES, INC. (US) 1989-04-12 EP disclosed
EP-0145340-A2 1H-Imidazo[4,5-c]quinolines and 1H-imidazo[4,5-c]quinolin-4-amines RIKER LABORATORIES, INC. (US) 1985-06-19 EP disclosed