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SCHEMBL16158337

SCHEMBL16158337

c1ccc(-c2ccc(-c3cccc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5cccc6c5c5ccccc5n6-c5ccc6ccccc6c5)cc4)c3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALK Q9UM73 2/20 0.33
▸ PDE6D O43924 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ CDK4 P11802 1/20 0.30
▸ CCND1 P24385 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL16158323 1.00 ALK (0.33) ALKPDE6DCA12CA1CA2
SCHEMBL16158311 1.00 ALK (0.33) ALKPDE6DCA12CA1CA2
SCHEMBL16158322 1.00 ALK (0.33) ALKPDE6DCA12CA1CA2
SCHEMBL16158248 0.99 ALK (0.33) ALKPDE6DCA12CA1CA2
SCHEMBL23660074 0.97 ALK (0.33) ALKPDE6D
SCHEMBL25160640 0.97 ALK (0.33) ALKPDE6D
SCHEMBL25160704 0.97 ALK (0.33) ALKPDE6D
SCHEMBL25160825 0.97 ALK (0.33) ALKPDE6D
SCHEMBL23659484 0.97 PDE6D (0.32) ALKPDE6DHDAC4KDM4EATM
SCHEMBL25160936 0.97 PDE6D (0.32) ALKPDE6DHDAC4KDM4EATM

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-2014163228-A1 NOVEL ORGANIC ELECTROLUMINESCENT ELEMENT COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME (주)피엔에이치테크 (KR) 2014-10-09 — — WO disclosed
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