SCHEMBL21180592

SCHEMBL21180592

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccccc5c5cc(-c6cc7ccccc7c7cc8c(cc67)oc6ccccc68)ccc54)c3)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL16574983 0.90 KDM4E (0.33) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL21180578 0.90 KDM4E (0.40) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL21180700 0.90 KDM4E (0.40) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL21180566 0.88 KDM4E (0.31) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL15785909 0.88 KDM4E (0.37) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL15785911 0.87 PLA2G2A (0.38) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL17885359 0.86 SIRT2 (0.35) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL12455158 0.86 KDM4E (0.39) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL20715061 0.86 KDM4E (0.39) SIRT2SIRT1KDM4EATML3MBTL1
SCHEMBL19830389 0.85 KDM4E (0.38) SIRT2SIRT1KDM4EATML3MBTL1

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
WO-2021230655-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 — — WO disclosed
US-10361380-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2019-07-23 — — US disclosed
Send feedback