SCHEMBL9968221

SCHEMBL9968221

CCC(C)(C)c1cc2c(cn1)c1ccccc1n2-c1cccc(-c2cccc(-n3c4ccccc4c4cnc(C(C)(C)CC)cc43)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
RAC2 P15153 1/20 0.32
RAC3 P60763 1/20 0.32
CDC42 P60953 1/20 0.32
RAC1 P63000 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
PTGER4 P35408 2/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL10090531 0.80 KDM4E (0.40) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL9968186 0.79 PTGER4 (0.35) KDM4EATML3MBTL1MAPK13MAPK12
SCHEMBL9968249 0.78 MAPK13 (0.35) KDM4EATML3MBTL1MAPK13MAPK12
SCHEMBL8739895 0.78 KDM4E (0.40) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL8739894 0.78 KDM4E (0.40) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL9968228 0.77 L3MBTL1 (0.36) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL29367591 0.74 ATM (0.64) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL29432855 0.74 ATM (0.64) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL29384509 0.74 ATM (0.64) KDM4EATML3MBTL1PDE4APDE4B
SCHEMBL126272 0.74 ATM (0.64) KDM4EATML3MBTL1PDE4APDE4B

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed