SCHEMBL17039583

SCHEMBL17039583

c1ccc(-c2cccc(-c3nc(-n4c5ccccc5c5ccc6c(ccn6-c6ccccc6)c54)n4ccccc34)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 1/20 0.33
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL17039579 0.95 MEN1 (0.32) MEN1KMT2APOLBGAAHPGD
SCHEMBL17039573 0.93 MEN1 (0.36) RAD51MEN1KMT2APOLBGAA
SCHEMBL17039576 0.92 RAD51 (0.31) RAD51
SCHEMBL17039587 0.87 RAD51 (0.41) RAD51MEN1KMT2APOLBGAA
SCHEMBL17039580 0.87 KDM4E (0.31) POLBKDM4EATML3MBTL1
SCHEMBL17039588 0.86 KDM4E (0.35) POLBKDM4EATML3MBTL1
SCHEMBL17039574 0.85 RORC (0.31) —
SCHEMBL17039584 0.85 DUSP3 (0.33) POLBKDM4EATML3MBTL1
SCHEMBL17039577 0.83 DUSP3 (0.32) KDM4EATML3MBTL1
SCHEMBL17039374 0.82 RAD51 (0.43) RAD51MEN1KMT2APOLBGAA

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-2015126161-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed
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