SCHEMBL5081992

SCHEMBL5081992

CCOc1ccccc1Nc1cccc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.55
GAA P10253 5/20 0.50
MAPT P10636 4/20 0.50
LMNA P02545 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK10 P53779 1/20 0.50
KDM4E B2RXH2 1/20 0.50
GFER P55789 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 2/20 0.47
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 2/20 0.46
POLB P06746 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALOX15 P16050 1/20 0.44
HTT P42858 1/20 0.44
P2RX7 Q99572 1/20 0.43

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
SCHEMBL11348720 0.83 ALDH1A1 (0.68) HSD17B10GAAMAPTLMNAMEN1
SCHEMBL5080732 0.83 MAPT (0.68) GAAMAPTLMNAMEN1KMT2A
SCHEMBL8970984 0.82 MAPK10 (0.55) HSD17B10GAAMAPTLMNAMEN1
SCHEMBL11354748 0.80 ALDH1A1 (0.54) HSD17B10GAAMAPTLMNAMEN1
SCHEMBL11521594 0.78 MAPK10 (0.62) HSD17B10GAAMAPTMEN1KMT2A
SCHEMBL19151975 0.77 GAA (0.56) GAAMAPTLMNAMEN1KMT2A
SCHEMBL5085097 0.76 MAPT (0.55) GAAMAPTLMNAMEN1KMT2A
SCHEMBL28429962 0.76 GAA (0.63) HSD17B10GAAMAPTLMNAMEN1
Oxalic Acid SCHEMBL27570437 0.75 GAA (0.58) GAAMAPTLMNAMEN1KMT2A
SCHEMBL5085062 0.75 TP53 (0.59) GAAMAPTLMNAMEN1KMT2A

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