SCHEMBL4777754

SCHEMBL4777754

CCCCCNc1c(C)c(C)nc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.39
GAA P10253 1/20 0.36
ACHE P22303 1/20 0.36
TLR8 Q9NR97 4/20 0.35
TLR7 Q9NYK1 1/20 0.35
KMT2A Q03164 2/20 0.34
HCAR3 P49019 1/20 0.34
RIPK1 Q13546 3/20 0.33
MEN1 O00255 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
GPR84 Q9NQS5 2/20 0.32
GSR P00390 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
SCHEMBL4772531 0.90 POLB (0.41) MAPTL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL4773797 0.88 POLB (0.41) MAPTL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL4769171 0.87 POLB (0.40) MAPTL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL4771569 0.87 POLB (0.40) MAPTL3MBTL1ALDH1A1TDP1MAPK1
SCHEMBL3172845 0.86 POLB (0.42) MAPTL3MBTL1ALDH1A1TDP1HTT
SCHEMBL4776141 0.83 POLB (0.43) MAPTALDH1A1TDP1SMN1; SMN2POLB
SCHEMBL4011042 0.82 TOP2A (0.46) MAPTALDH1A1SMN1; SMN2POLB
SCHEMBL28761871 0.81 POLB (0.39) MAPTL3MBTL1ALDH1A1TDP1SMN1; SMN2
SCHEMBL13527456 0.80 POLB (0.42) MAPTALDH1A1TDP1MAPK1HTT
SCHEMBL11804724 0.80 MAPT (0.47) MAPTL3MBTL1ALDH1A1TDP1MAPK1

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-1513524-A4 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES CO (US) 2008-09-03 EP disclosed
EP-1513524-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2005-03-16 EP disclosed
WO-2003103584-A2 ETHER SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-12-18 WO disclosed