SCHEMBL5332552

SCHEMBL5332552

CNCC(OC(C)=O)c1ccc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A2 P05177 2/20 0.40
HPGD P15428 3/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 2/20 0.39
NCF1 P14598 1/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 3/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 2/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38

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
SCHEMBL9682782 0.79 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL5336216 0.75 ALDH1A1 (0.57) ALDH1A1HSD17B10CYP1A2MAPTGAA
SCHEMBL5332554 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL18092849 0.71 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL10069400 0.70 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL13947088 0.68 ALDH1A1 (0.53) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL2310345 0.68 ALDH1A1 (0.48) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL29858156 0.68 ACACB (0.48) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL19385989 0.68 ACACB (0.48) ALDH1A1HSD17B10CYP1A2HPGDMAPT
SCHEMBL5336219 0.66 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP1A2HPGDMAPT

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-1797091-A2 IMIDAZOQUINOLINE COMPOUNDS Novartis Vaccines and Diagnostics, Inc. (US) 2007-06-20 EP claimed
WO-2006031878-A2 IMIDAZOQUINOLINE COMPOUNDS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2006-03-23 WO claimed