SCHEMBL16159461

SCHEMBL16159461

C1=COC(c2cccc(-c3c4ccccc4c(-c4cccc(-c5ncco5)c4)c4ccc(-c5cccc(-c6ccccc6)c5)cc34)c2)N1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HPGDS O60760 1/20 0.34
LTA4H P09960 1/20 0.33
MCL1 Q07820 1/20 0.33
BRD4 O60885 1/20 0.32
TNKS O95271 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
SCHEMBL16159446 1.00 HDAC4 (0.36) HDAC4HPGDSLTA4HMCL1BRD4
SCHEMBL16159474 1.00 HDAC4 (0.36) HDAC4HPGDSLTA4HMCL1BRD4
SCHEMBL16159463 0.99 HDAC4 (0.35) HDAC4HPGDSLTA4HMCL1BRD4
SCHEMBL16159464 0.94 HDAC4 (0.34) HDAC4HPGDSLTA4HBRD4TNKS
SCHEMBL16159490 0.93 HPGDS (0.36) HDAC4HPGDSLTA4HBRD4
SCHEMBL16159526 0.93 HDAC4 (0.32) HDAC4LTA4HBRD4
SCHEMBL16159449 0.92 ALK (0.32) HDAC4MCL1
SCHEMBL16159318 0.90 HDAC4 (0.33) HDAC4HPGDSLTA4H
SCHEMBL16159486 0.90 S1PR1 (0.32) HDAC4BRD4
SCHEMBL16159585 0.89 MCL1 (0.35) HDAC4HPGDSLTA4HMCL1

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-2014163173-A1 ELECTRON TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME JNC株式会社 (JP) 2014-10-09 WO disclosed