SCHEMBL16369550

SCHEMBL16369550

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5cccc6ccc7c(-c8ccc9c%10c8ccc8cccc(c8%10)n9-c8ccccc8)ccc4c7c65)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.34
▸ CYP1B1 Q16678 1/20 0.34
▸ MAPT P10636 6/20 0.33
▸ L3MBTL1 Q9Y468 4/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ KDM4E B2RXH2 5/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ HPGD P15428 5/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CASP1 P29466 1/20 0.32
▸ CASP7 P55210 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PDE6D O43924 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ MEN1 O00255 5/20 0.31
▸ KMT2A Q03164 5/20 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
SCHEMBL16369549 0.98 KDM4E (0.33) CYP1A1CYP1B1MAPTL3MBTL1MAPK1
SCHEMBL16283312 0.92 KDM4E (0.36) CYP1A1CYP1B1MAPTL3MBTL1KDM4E
SCHEMBL16283280 0.92 KDM4E (0.36) CYP1A1CYP1B1MAPTL3MBTL1KDM4E
SCHEMBL16283258 0.92 KDM4E (0.36) CYP1A1CYP1B1MAPTL3MBTL1KDM4E
SCHEMBL16369551 0.91 KDM4E (0.37) MAPTL3MBTL1KDM4EALDH1A1HPGD
SCHEMBL16369562 0.91 CYP1A1 (0.33) CYP1A1CYP1B1MAPTL3MBTL1MAPK1
SCHEMBL16283310 0.91 KDM4E (0.37) CYP1A1CYP1B1MAPTL3MBTL1MAPK1
SCHEMBL16283328 0.91 KDM4E (0.37) CYP1A1CYP1B1MAPTL3MBTL1MAPK1
SCHEMBL16283259 0.91 KDM4E (0.37) CYP1A1CYP1B1MAPTL3MBTL1MAPK1
SCHEMBL16369568 0.91 CYP1A1 (0.31) CYP1A1CYP1B1

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-9437827-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-06 — — US disclosed
US-9437827-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2016-09-06 — — US disclosed
US-20150001493-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-01-01 — — US disclosed
US-20150001493-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2015-01-01 — — US disclosed
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