SCHEMBL17987016

SCHEMBL17987016

CCc1ccc(-c2ccc(-n3c4ccccc4c4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)ccc43)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSPO P30536 2/20 0.40
AKR1C4 P17516 1/20 0.37
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
RAC2 P15153 1/20 0.37
RAC3 P60763 1/20 0.37
CDC42 P60953 1/20 0.37
RAC1 P63000 1/20 0.37
HDAC4 P56524 1/20 0.36
POLB P06746 2/20 0.35
DNM1 Q05193 2/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
PTGES O14684 1/20 0.35
PARP1 P09874 1/20 0.34
PTGER4 P35408 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
SCHEMBL17973785 1.00 KDM4E (0.41) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL16590734 0.95 TSPO (0.46) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL16590735 0.94 TSPO (0.46) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL15138398 0.92 KDM4E (0.47) KDM4EATML3MBTL1AKR1C4AKR1C3
SCHEMBL14119422 0.91 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL18388938 0.91 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL17740729 0.91 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL18775510 0.91 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL559631 0.91 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4
SCHEMBL12559386 0.91 L3MBTL1 (0.49) KDM4EATML3MBTL1TSPOAKR1C4

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
US-20160225998-A1 CHARGE-TRANSPORTING MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-08-04 US disclosed