SCHEMBL17990691

SCHEMBL17990691

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5c6ccc7oc8ccccc8c7c6ccc54)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TERT O14746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ABCG2 Q9UNQ0 2/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
MAPT P10636 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
SCHEMBL24217365 0.93 KDM4E (0.36) KDM4EATML3MBTL1TERTALDH1A1
SCHEMBL22192778 0.91 KDM4E (0.38) KDM4EATML3MBTL1TERTALDH1A1
SCHEMBL22192605 0.91 KDM4E (0.38) KDM4EATML3MBTL1TERTALDH1A1
SCHEMBL24217367 0.91 KDM4E (0.35) KDM4EATML3MBTL1TERTALDH1A1
SCHEMBL23595226 0.91 KDM4E (0.35) KDM4EATML3MBTL1TERTALDH1A1
SCHEMBL18564557 0.91 KDM4E (0.35) KDM4EATML3MBTL1TERTALDH1A1
SCHEMBL22250060 0.90 KDM4E (0.35) KDM4EATML3MBTL1TERTALDH1A1
SCHEMBL16437600 0.90 ALDH1A1 (0.33) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL23595253 0.90 PLA2G2A (0.35) KDM4EATML3MBTL1ALDH1A1HPGD
SCHEMBL24217366 0.90 KDM4E (0.34) KDM4EATML3MBTL1ALDH1A1HPGD

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