SCHEMBL6023201

SCHEMBL6023201

CCC(C)c1nc2cccnc2c(N)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 3/20 0.39
NPY1R P25929 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
PDE10A Q9Y233 1/20 0.37
PRMT5 O14744 1/20 0.36
PDE4D Q08499 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL191388 0.79 MAPT (0.40) MAPTTLR8TLR7NPY1RMEN1
SCHEMBL3355146 0.73 MAPT (0.38) MAPTTLR8TLR7NPY1RMEN1
SCHEMBL8150367 0.72 MGMT (0.41) MAPTNPY1RMEN1KMT2AALDH1A1
SCHEMBL3357601 0.71 TLR8 (0.38) MAPTTLR8TLR7NPY1RMEN1
SCHEMBL17806132 0.70 ALDH1A1 (0.58) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL311056 0.70 MGMT (0.59) MAPTMEN1KMT2AL3MBTL1LMNA
SCHEMBL29603890 0.69 HPGD (0.38) MAPTKMT2ASMN1; SMN2TP53CYP3A4
SCHEMBL3354479 0.68 MAPT (0.40) MAPTNPY1RMEN1KMT2ASMN1; SMN2
SCHEMBL5552481 0.67 PDE10A (0.38) MAPTNPY1RMEN1KMT2ASMN1; SMN2
SCHEMBL11973739 0.66 PDE10A (0.53) MAPTNPY1RMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1512685-B1 IMIDAZONAPHTHYRIDINES AND THEIR USE IN INDUCING CYTOKINE BIOSYTHESIS MINNESOTA MINING & MFG (US) 2006-07-19 EP disclosed