SCHEMBL19904842

SCHEMBL19904842

CC(C)c1ccccc1-n1ccnc1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDR P35968 12/20 0.44
FLT1 P17948 2/20 0.43
FLT4 P35916 2/20 0.43
HCAR1 Q9BXC0 1/20 0.42
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
PLK1 P53350 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL2040213 0.84 ALDH1A1 (0.49) ALDH1A1KDRFLT1FLT4MAPK9
SCHEMBL12092278 0.84 KDR (0.44) ALDH1A1MAPTL3MBTL1KDRFLT1
SCHEMBL30024343 0.83 ALDH1A1 (0.48) ALDH1A1KDRFLT1FLT4MAPK9
SCHEMBL30125198 0.83 ALDH1A1 (0.48) ALDH1A1KDRFLT1FLT4MAPK9
SCHEMBL29373868 0.83 ALDH1A1 (0.48) ALDH1A1KDRFLT1FLT4MAPK9
SCHEMBL21647270 0.83 ALDH1A1 (0.48) ALDH1A1KDRFLT1FLT4MAPK9
SCHEMBL23903296 0.82 KDR (0.39) KDRFLT1FLT4MAPK9MAPK10
SCHEMBL15315970 0.80 KDR (0.51) ALDH1A1KDRFLT1FLT4MAPK9
SCHEMBL16203401 0.80 ALDH1A1 (0.45) ALDH1A1KDRFLT1FLT4MAPK9
SCHEMBL1491928 0.79 MAPK9 (0.43) ALDH1A1KDRFLT1FLT4MAPK9

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
CN-110335951-A A kind of phosphor-sensitized fluorescent Organic Light Emitting Diode 华南理工大学 2019-10-15 CN disclosed
EP-3070144-B1 SEVEN-MEMBERED RING COMPOUNDS IDEMITSU KOSAN CO (JP) 2018-02-28 EP disclosed