SCHEMBL5080732

SCHEMBL5080732

COc1ccccc1Nc1cccc(N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
ALDH1A1 P00352 4/20 0.68
MAPK1 P28482 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
GAA P10253 4/20 0.55
KDM4E B2RXH2 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
GFER P55789 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
RET P07949 1/20 0.51
KDR P35968 1/20 0.51
DHFR P00374 1/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
BACE1 P56817 1/20 0.47
RAPGEF4 Q8WZA2 1/20 0.46
MAPK10 P53779 2/20 0.46
MAPK8 P45983 1/20 0.46

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
SCHEMBL9427888 0.88 MAPT (0.62) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL5081992 0.83 HSD17B10 (0.55) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL1618638 0.81 MAPT (1.00) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL19151975 0.81 GAA (0.56) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL29744518 0.80 MAPT (0.72) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL2095055 0.80 MAPT (0.72) MAPTALDH1A1MAPK1L3MBTL1GAA
Hydrochloric Acid SCHEMBL7128944 0.78 MAPT (0.70) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL2127164 0.78 ALDH1A1 (0.65) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL8024114 0.78 MAPT (0.65) MAPTALDH1A1MAPK1L3MBTL1GAA
SCHEMBL27804214 0.78 MAPT (0.56) MAPTALDH1A1GAAKDM4EKMT2A

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
US-7323520-B2 Anti-aging agents for rubber vulcanizates based on organic compounds containing conjugated azadienes LANXESS DEUTSCHLAND GMBH (DE) 2008-01-29 US disclosed
US-20040087722-A1 Anti-aging agents for rubber vulcanizates based on organic compounds containing conjugated azadienes LANXESS DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
EP-1415980-A1 Anti-aging agent for rubber vulcanisates Bayer Aktiengesellschaft (DE) 2004-05-06 EP disclosed