SCHEMBL28005159

SCHEMBL28005159

C=C(c1ccccc1)c1cccc(-n2cccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC2 O75106 2/20 0.51
L3MBTL1 Q9Y468 9/20 0.46
CASP6 P55212 5/20 0.46
MAPT P10636 2/20 0.46
DNMT1 P26358 2/20 0.46
MCL1 Q07820 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CASP8 Q14790 1/20 0.45
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 3/20 0.39
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
CTDSP1 Q9GZU7 2/20 0.36
APOBEC3A P31941 1/20 0.36

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
SCHEMBL28817802 0.82 AOC2 (0.47) AOC2L3MBTL1CASP6MAPTNPC1
SCHEMBL22057796 0.79 AOC2 (0.57) AOC2L3MBTL1CASP6MAPTDNMT1
SCHEMBL27862485 0.79 AOC2 (0.53) AOC2L3MBTL1CASP6MAPTDNMT1
SCHEMBL611779 0.78 ALDH1A1 (0.54) MAPTRAB9AALDH1A1KMT2AMEN1
SCHEMBL814654 0.77 MEN1 (0.52) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL594234 0.77 AOC2 (0.64) AOC2L3MBTL1CASP6MAPTDNMT1
SCHEMBL29671334 0.77 AOC2 (0.64) AOC2L3MBTL1CASP6MAPTDNMT1
SCHEMBL13689487 0.76 AOC2 (0.50) AOC2L3MBTL1CASP6MAPTDNMT1
SCHEMBL21811989 0.75 MEN1 (0.50) L3MBTL1MAPTALDH1A1KMT2AMEN1
SCHEMBL609564 0.75 ALDH1A1 (0.65) L3MBTL1MAPTNPC1RAB9AALDH1A1

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
CN-104334629-A Tread rubber composition and pneumatic tire SUMITOMO RUBBER IND 2015-02-04 CN disclosed