SCHEMBL18199835

SCHEMBL18199835

CC1(C)c2ccccc2-c2ccc(Nc3ccc(-c4ccc(Nc5ccccc5-c5ccccc5)cc4)cc3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.45
PTGER4 P35408 1/20 0.36
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
APP P05067 1/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
AURKA O14965 1/20 0.33
MYC P01106 1/20 0.33
MAX P61244 1/20 0.33
STK10 O94804 1/20 0.33
SLK Q9H2G2 1/20 0.33
AKR1C3 P42330 1/20 0.33
CDC25B P30305 1/20 0.33
MAPKAPK2 P49137 1/20 0.32
MAP3K8 P41279 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL29892124 0.97 PDK2 (0.41) PDK2PTGER4FABP3FABP4FABP5
SCHEMBL19163603 0.97 PDK2 (0.41) PDK2PTGER4FABP3FABP4FABP5
SCHEMBL796162 0.95 PDK2 (0.43) PDK2FABP3FABP4FABP5MAPK13
SCHEMBL29440305 0.95 PDK2 (0.43) PDK2FABP3FABP4FABP5MAPK13
SCHEMBL22156154 0.94 PDK2 (0.42) PDK2PTGER4APPSTK10SLK
SCHEMBL25125148 0.93 PDK2 (0.40) PDK2FABP3FABP4FABP5MAPK13
SCHEMBL25125300 0.93 PDK2 (0.43) PDK2PTGER4FABP3FABP4FABP5
SCHEMBL18020024 0.93 PDK2 (0.45) PDK2PTGER4APPMAPK13MAPK12
SCHEMBL17733307 0.92 PDK2 (0.40) PDK2PTGER4FABP3FABP4FABP5
SCHEMBL25125292 0.92 PDK2 (0.40) PDK2PTGER4FABP3FABP4FABP5

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
WO-2016174813-A1 2,2'-BIBENZO[D]IMIDAZOLIDENE COMPOUND HAVING HETEROMONOCYCLIC GROUPS AT THE 1-, 1'-, 3- AND 3'-POSITIONS, AND ORGANIC LIGHT-EMITTING ELEMENT AND DISPLAY DEVICE CONTAINING THE SAME CANON KABUSHIKI KAISHA (JP) 2016-11-03 WO disclosed