SCHEMBL9968240

SCHEMBL9968240

CC(C)(C)Cc1cc2c3ccccc3n(-c3ccc(C(c4ccccc4)(c4ccccc4)c4ccc(-n5c6ccccc6c6ccncc65)cc4)cc3)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.37
PPARA Q07869 4/20 0.36
CDK4 P11802 5/20 0.35
CDK6 Q00534 5/20 0.35
KDM4E B2RXH2 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
MTOR P42345 1/20 0.30
PIK3CG P48736 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
KDR P35968 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
SCHEMBL21085499 0.84 KDM4E (0.49) PPARGKDM4EATML3MBTL1
SCHEMBL9968233 0.81 CDK4 (0.34) CDK4CDK6KCNH2
SCHEMBL9968147 0.78 KDM4E (0.34) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL9968202 0.77 L3MBTL1 (0.37) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL9968176 0.76 KDM4E (0.33) PPARGKDM4EATML3MBTL1
SCHEMBL9968107 0.75 ADORA3 (0.41)
SCHEMBL26329792 0.72 KDM4E (0.55) CDK4CDK6KDM4EATML3MBTL1
SCHEMBL25665971 0.72 KDM4E (0.50) PPARGPPARAKDM4EATML3MBTL1
SCHEMBL9968143 0.72 KDM4E (0.33) KDM4EATML3MBTL1
SCHEMBL16769858 0.72 KDM4E (0.48) CDK4CDK6KDM4EATML3MBTL1

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