SCHEMBL9968246

SCHEMBL9968246

CC(C)(C)c1ncc2c3ccccc3n(-c3ccc(C(C)(C)c4ccc(-n5c6ccccc6c6cnc(C(C)(C)C)nc65)cc4)cc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
AKT3 Q9Y243 1/20 0.33
PPARG P37231 4/20 0.32
CDK4 P11802 4/20 0.32
CDK6 Q00534 4/20 0.32
PPARA Q07869 2/20 0.32
MEN1 O00255 1/20 0.30
USP2 O75604 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
SCHEMBL9968227 0.78 CNR2 (0.32) ALDH1A1MAPK1MEN1USP2CYP1A2
SCHEMBL9968239 0.78 PPARG (0.37) KDM4EATML3MBTL1PIK3CDPIK3CA
SCHEMBL10100856 0.77 KDM4E (0.59) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL10039116 0.77 KDM4E (0.59) KDM4EATML3MBTL1ALDH1A1PPARG
SCHEMBL9968081 0.76 GPR3 (0.46) KDM4EL3MBTL1ALDH1A1MAPTMAPK1
SCHEMBL9968247 0.75 PIK3CD (0.40) KDM4EATML3MBTL1PIK3CDPIK3CA
SCHEMBL9968262 0.75 ALDH1A1 (0.33) KDM4EATML3MBTL1ALDH1A1MAPT
SCHEMBL12383141 0.75 CYP1A2 (0.38) KDM4EATML3MBTL1PIK3CDPIK3CA
SCHEMBL12241437 0.74 MAOA (0.47) KDM4EATML3MBTL1PIK3CDPIK3CA
SCHEMBL12011958 0.74 MAOA (0.47) KDM4EATML3MBTL1PIK3CDPIK3CA

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