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Sugi Predict / Compounds / SCHEMBL17989602

SCHEMBL17989602

SCHEMBL17989602

CC1(C)c2ccccc2-c2ccc3ccc4c5ccccc5n(-c5ccc(-c6ccccc6)cc5)c4c3c21

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE6D O43924 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ DUSP3 P51452 1/20 0.32
▸ MAPK14 Q16539 1/20 0.31
▸ GSK3B P49841 1/20 0.30
▸ RXFP1 Q9HBX9 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
SCHEMBL17989671 0.97 PDE6D (0.33) PDE6DKDM4EATML3MBTL1HDAC4
SCHEMBL17299534 0.93 KDM4E (0.40) KDM4EATML3MBTL1DUSP3
SCHEMBL17299539 0.93 PDE6D (0.31) PDE6D
SCHEMBL17299445 0.93 PDE6D (0.31) PDE6D
SCHEMBL17245687 0.90 L3MBTL1 (0.37) PDE6DKDM4EATML3MBTL1HDAC4
SCHEMBL17299494 0.89 KDM4E (0.38) KDM4EATML3MBTL1DUSP3
SCHEMBL17299523 0.89 PDK2 (0.32) PDE6D
SCHEMBL17299590 0.89 PDE6D (0.30) PDE6D
SCHEMBL17299436 0.89 PDE6D (0.30) PDE6D
SCHEMBL17427627 0.89 KDM4E (0.36) KDM4EATML3MBTL1HDAC4DUSP3

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