SCHEMBL17989909

SCHEMBL17989909

c1ccc(-n2c3ccccc3c3ccc4c(ccc5c4c4ccccc4n5-c4ccc5ncccc5c4)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 3/20 0.44
GAA P10253 2/20 0.44
POLB P06746 3/20 0.40
TP53 P04637 2/20 0.40
PSMD14 O00487 1/20 0.40
MMP2 P08253 1/20 0.40
ATM Q13315 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAP3K8 P41279 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.38
HPGD P15428 1/20 0.37
CHRNA7 P36544 1/20 0.37
MAPK10 P53779 1/20 0.36
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL17989934 0.86 ALDH1A1 (0.43) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL17989928 0.86 ALDH1A1 (0.47) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL17989935 0.86 KDM4E (0.40) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL17989061 0.85 ALDH1A1 (0.47) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL17989786 0.85 KDM4E (0.47) KDM4EALDH1A1POLBATML3MBTL1
SCHEMBL17989793 0.85 KDM4E (0.47) KDM4EALDH1A1POLBATML3MBTL1
SCHEMBL22141743 0.83 KDM4E (0.46) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL16484366 0.83 MAPT (0.55) KDM4EMAPTALDH1A1GAAPOLB
SCHEMBL22141764 0.82 KDM4E (0.39) KDM4EMAPTALDH1A1GAAATM
SCHEMBL22141503 0.82 KDM4E (0.39) KDM4EMAPTALDH1A1GAAATM

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