SCHEMBL16285629

SCHEMBL16285629

c1ccc(-c2ccc(-n3c4cccc5ccc6c(-c7ccc8c(c7)c7ccccc7n8-c7nc(-c8ccccc8)cc(-c8ccccc8)n7)ccc3c6c54)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 2/20 0.34
▸ KDM4E B2RXH2 3/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ CYP1A1 P04798 1/20 0.30
▸ CYP1B1 Q16678 1/20 0.30
▸ PTGER4 P35408 1/20 0.30
▸ PDE6D O43924 1/20 0.30
▸ TUBB4A P04350 1/20 0.30
▸ TUBB P07437 1/20 0.30
▸ TUBA3C P0DPH7 1/20 0.30
▸ TUBA1B P68363 1/20 0.30
▸ TUBA4A P68366 1/20 0.30
▸ TUBB4B P68371 1/20 0.30

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
SCHEMBL16283312 0.98 KDM4E (0.36) PTGESKDM4EL3MBTL1ATMALDH1A1
SCHEMBL16283258 0.98 KDM4E (0.36) PTGESKDM4EL3MBTL1ATMALDH1A1
SCHEMBL16283310 0.97 KDM4E (0.37) PTGESKDM4EL3MBTL1ATMALDH1A1
SCHEMBL16283259 0.97 KDM4E (0.37) PTGESKDM4EL3MBTL1ATMALDH1A1
SCHEMBL16283324 0.96 KDM4E (0.35) PTGESKDM4EL3MBTL1ATMALDH1A1
SCHEMBL16283314 0.95 PTGES (0.36) PTGESKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL16285641 0.94 PTGES (0.33) PTGES
SCHEMBL16285622 0.94 PTGES (0.33) PTGESKDM4EL3MBTL1ATM
SCHEMBL16285632 0.94 CYP1A1 (0.34) PTGESKDM4EL3MBTL1ALDH1A1MAPT
SCHEMBL16283280 0.94 KDM4E (0.36) PTGESKDM4EL3MBTL1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9368730-B2 Heterocyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-14 — — US disclosed
US-9368730-B2 Heterocyclic compound and organic light-emitting device comprising the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-14 — — US disclosed
US-20140361254-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-12-11 — — US disclosed
US-20140361254-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2014-12-11 — — US disclosed
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