SCHEMBL14979109

SCHEMBL14979109

CC1(C)c2ccccc2-c2cc3[nH]c4ccc(-c5ccccc5)cc4c3cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRA6 Q16445 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
WEE1 P30291 3/20 0.37
PDK2 Q15119 1/20 0.37
JAK2 O60674 1/20 0.36
CHEK1 O14757 2/20 0.36
NPC1 O15118 1/20 0.36
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
AXL P30530 1/20 0.34
AHR P35869 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34

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
SCHEMBL781373 0.95 CDK4 (0.39) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL17117665 0.92 TNKS2 (0.43) CDK4CCND1TNKS2WEE1PDK2
SCHEMBL17280981 0.90 PGR (0.38) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL15413860 0.87 AHR (0.39) PDK2AHRPGR
SCHEMBL22106242 0.87 PDK2 (0.41) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL1760310 0.86 AHR (0.45) TNKS2PDK2AHRPGR
SCHEMBL17177968 0.86 CDK4 (0.34) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL14880906 0.85 PGR (0.38) CDK4CCND1GABRA1GABRG2GABRB3
SCHEMBL19061342 0.85 AHR (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15589041 0.85 AHR (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013109045-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-07-25 WO disclosed
WO-2013085243-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-06-13 WO disclosed
WO-2013081416-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-06-06 WO disclosed
WO-2013073896-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed
WO-2013073874-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND AN ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed
WO-2013073859-A1 NOVEL ORGANIC ELECTROLUMINESCENCE COMPOUNDS AND ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2013-05-23 WO disclosed