SCHEMBL16870928

SCHEMBL16870928

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc4c(c3)Oc3ccc(-n5c6ccccc6c6ccccc65)cc3O4)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 2/20 0.43
▸ EDNRB P24530 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ ATM Q13315 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CYP1A2 P05177 7/20 0.38
▸ CYP3A4 P08684 7/20 0.38
▸ CYP2D6 P10635 7/20 0.38
▸ CYP2C19 P33261 6/20 0.38
▸ HSD17B10 Q99714 6/20 0.38
▸ USP2 O75604 4/20 0.38
▸ ALOX15 P16050 4/20 0.38
▸ CLK4 Q9HAZ1 4/20 0.38
▸ LMNA P02545 4/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ MEN1 O00255 8/20 0.35
▸ KMT2A Q03164 8/20 0.35
▸ MAPK1 P28482 4/20 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
SCHEMBL20934392 0.86 MAPT (0.41) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL18622777 0.86 KDM4E (0.36) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL18622801 0.86 L3MBTL1 (0.36) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL17170359 0.86 L3MBTL1 (0.42) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL17170311 0.85 ATM (0.41) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL26455617 0.85 EDNRA (0.36) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL18969166 0.84 L3MBTL1 (0.41) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL17170312 0.83 KDM4E (0.38) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL26455585 0.83 EDNRB (0.35) EDNRAEDNRBKDM4EATML3MBTL1
SCHEMBL2388968 0.83 KDM4E (0.52) EDNRAEDNRBKDM4EATML3MBTL1

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
WO-2015099438-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 주식회사 두산 2015-07-02 — — WO disclosed
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