SCHEMBL27624877

SCHEMBL27624877

CCOc1cncc(OCC)c1N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 5/20 0.63
ALDH1A1 P00352 2/20 0.45
MAPT P10636 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TLR8 Q9NR97 1/20 0.39
GAA P10253 2/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL27645054 0.84 ALDH1A1 (0.46) AOC3ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL27624907 0.82 CYP2C9 (0.52) AOC3KDM4ETLR8LOXNPC1
SCHEMBL343169 0.77 AOC3 (1.00) AOC3ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL26647420 0.76 AOC3 (0.52) AOC3ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL11628534 0.74 ALDH1A1 (0.53) AOC3ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL7930788 0.73 ALDH1A1 (0.64) ALDH1A1MAPTHSD17B10KDM4EHPGD
SCHEMBL11092365 0.73 AOC3 (0.53) AOC3ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL21827702 0.72 ALDH1A1 (0.39) AOC3ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL14562274 0.71 TSHR (0.48) AOC3ALDH1A1MAPTHSD17B10KDM4E
SCHEMBL25384122 0.70 AOC3 (0.55) AOC3ALDH1A1MAPTHSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100340560-C N,N'-dipyridyl-equibenzyl-tetraformyldiimine derivative and its synthesis method UNIV SOUTHEAST (CN) 2007-10-03 CN claimed
CN-100340558-C N,N-dipyridyl 3,4,9,10-tetraformyl diimine derirative and its synthesis method UNIV DONGNAN (CN) 2007-10-03 CN claimed
CN-1785998-A N,N-dipyridyl 3,4,9,10-tetraformyl diimine derirative and its synthesis method UNIV DONGNAN (CN) 2006-06-14 CN claimed
CN-1763041-A N,N'-dipyridyl-equibenzyl-tetraformyldiimine derivative and its synthesis method UNIV SOUTHEAST (CN) 2006-04-26 CN claimed
CN-100340560-C N,N'-dipyridyl-equibenzyl-tetraformyldiimine derivative and its synthesis method UNIV SOUTHEAST (CN) 2007-10-03 CN disclosed
CN-100340558-C N,N-dipyridyl 3,4,9,10-tetraformyl diimine derirative and its synthesis method UNIV DONGNAN (CN) 2007-10-03 CN disclosed
CN-1785998-A N,N-dipyridyl 3,4,9,10-tetraformyl diimine derirative and its synthesis method UNIV DONGNAN (CN) 2006-06-14 CN disclosed
CN-1763041-A N,N'-dipyridyl-equibenzyl-tetraformyldiimine derivative and its synthesis method UNIV SOUTHEAST (CN) 2006-04-26 CN disclosed