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Sugi Predict / Compounds / SCHEMBL15801880

SCHEMBL15801880

SCHEMBL15801880

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cc(-n5c6ccccc6c6c7ccc8c(ccn8-c8ccccc8)c7ccc65)ccc43)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ RAC2 P15153 1/20 0.33
▸ RAC3 P60763 1/20 0.33
▸ CDC42 P60953 1/20 0.33
▸ RAC1 P63000 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ CTDSP1 Q9GZU7 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
SCHEMBL15801817 0.94 KDM4E (0.36) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL15801931 0.90 KDM4E (0.42) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL15802277 0.89 RAC2 (0.34) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15801826 0.89 KDM4E (0.41) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL16357384 0.89 KDM4E (0.37) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL15801932 0.88 KDM4E (0.35) KDM4EATML3MBTL1POLBCTDSP1
SCHEMBL15801888 0.88 RAC2 (0.32) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15683869 0.87 RAC2 (0.34) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL17864112 0.87 RAC2 (0.35) KDM4EATML3MBTL1RAC2RAC3
SCHEMBL15801903 0.87 KDM4E (0.47) KDM4EATML3MBTL1POLB

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-2014092354-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 (KR) 2014-06-19 — — WO disclosed