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Sugi Predict / Compounds / SCHEMBL17033753

SCHEMBL17033753

SCHEMBL17033753

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5ccc(N(c6ccccc6)c6ccccc6)cc5c5cc6cc7c8ccccc8c8ccccc8n7c6cc54)c3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ NPY5R Q15761 1/20 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
SCHEMBL17033726 0.94 KDM4E (0.31) KDM4EATML3MBTL1PTGER4
SCHEMBL17033598 0.90 KDM4E (0.40) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL17033774 0.89 KDM4E (0.37) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL15785782 0.89 KDM4E (0.41) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL17033617 0.88 KDM4E (0.38) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL18565216 0.88 KDM4E (0.41) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL17033752 0.87 KDM4E (0.38) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL17033772 0.87 KDM4E (0.35) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL15785781 0.87 KDM4E (0.39) KDM4EATML3MBTL1PTGER4RAC2
SCHEMBL17033460 0.87 KDM4E (0.41) KDM4EATML3MBTL1PTGER4RAC2

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-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed