SCHEMBL17039372

SCHEMBL17039372

c1ccc2c(-c3ccc(-c4nc(-n5c6ccccc6c6ccccc65)n5ccccc45)cc3)cccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP3 O14638 1/20 0.40
▸ ENPP1 P22413 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ RAD51 Q06609 5/20 0.38
▸ CA12 O43570 2/20 0.37
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HIF1A Q16665 3/20 0.36
▸ EPAS1 Q99814 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL17039391 0.91 ENPP3 (0.36) ENPP3ENPP1HDAC8HDAC6RAD51
SCHEMBL17039377 0.90 RAD51 (0.40) ENPP3ENPP1HDAC8HDAC6RAD51
SCHEMBL17039578 0.89 TUBB4A (0.38) HPGDHIF1AEPAS1KDM4EALDH1A1
SCHEMBL17039512 0.89 KDM4E (0.38) ENPP3ENPP1HDAC8HDAC6RAD51
SCHEMBL17039373 0.86 TUBB4A (0.36) HPGDHIF1AEPAS1KDM4EALDH1A1
SCHEMBL17039371 0.85 MEN1 (0.46) RAD51MEN1KMT2APOLBGAA
SCHEMBL17039575 0.84 KMT2A (0.48) RAD51MEN1KMT2APOLBGAA
SCHEMBL17039497 0.83 KDM4E (0.36) ENPP3ENPP1RAD51CA12CA1
SCHEMBL17039574 0.82 RORC (0.31) ENPP3ENPP1RORC
SCHEMBL17039376 0.82 HPGD (0.38) 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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