SCHEMBL16159490

SCHEMBL16159490

C1=COC(c2cccc(-c3c4ccccc4c(-c4cccc(-c5ncco5)c4)c4ccccc34)c2)N1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.36
HDAC4 P56524 1/20 0.35
LTA4H P09960 1/20 0.33
BACE1 P56817 1/20 0.30
BRD4 O60885 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
SCHEMBL16159318 0.95 HDAC4 (0.33) HPGDSHDAC4LTA4H
SCHEMBL16159474 0.93 HDAC4 (0.36) HPGDSHDAC4LTA4HBRD4
SCHEMBL16159461 0.93 HDAC4 (0.36) HPGDSHDAC4LTA4HBRD4
SCHEMBL16159446 0.93 HDAC4 (0.36) HPGDSHDAC4LTA4HBRD4
SCHEMBL16159463 0.92 HDAC4 (0.35) HPGDSHDAC4LTA4HBRD4
SCHEMBL16159464 0.91 HDAC4 (0.34) HPGDSHDAC4LTA4HBRD4
SCHEMBL16159526 0.90 HDAC4 (0.32) HDAC4LTA4HBRD4
SCHEMBL16159104 0.89 HPGDS (0.34) HPGDSHDAC4LTA4HBACE1BRD4
SCHEMBL16159486 0.89 S1PR1 (0.32) HDAC4BRD4
SCHEMBL16159449 0.87 ALK (0.32) HDAC4

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