SCHEMBL17989798

SCHEMBL17989798

c1ccc(-n2c3ccc4ccccc4c3c3c2ccc2c4ccccc4n(-c4cccc5ccccc45)c23)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 2/20 0.49
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
GSR P00390 1/20 0.32
HPGD P15428 2/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 2/20 0.31
TSHR P16473 2/20 0.31
HSD17B10 Q99714 2/20 0.31
NPC1 O15118 1/20 0.31
HTR3E A5X5Y0 1/20 0.31

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
SCHEMBL17990341 0.93 ATM (0.47) ATML3MBTL1KDM4ETDP1ALDH1A1
SCHEMBL17245387 0.92 KDM4E (0.51) ATML3MBTL1KDM4ETDP1CNR1
SCHEMBL17989770 0.92 L3MBTL1 (0.55) ATML3MBTL1KDM4ETDP1ALDH1A1
SCHEMBL17245476 0.90 ATM (0.46) ATML3MBTL1KDM4ETDP1CNR1
SCHEMBL17989791 0.90 KDM4E (0.42) ATML3MBTL1KDM4ETDP1CNR1
SCHEMBL17989804 0.88 KDM4E (0.44) ATML3MBTL1KDM4ETDP1CNR1
SCHEMBL17245392 0.88 KDM4E (0.46) ATML3MBTL1KDM4ETDP1CNR1
SCHEMBL17898419 0.88 ATM (0.50) ATML3MBTL1KDM4ETDP1CNR1
SCHEMBL17019465 0.87 KDM4E (0.44) ATML3MBTL1KDM4ETDP1CNR1
SCHEMBL15073727 0.87 KDM4E (0.49) ATML3MBTL1KDM4ETDP1CNR1

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-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 US disclosed