SCHEMBL16159158

SCHEMBL16159158

C1=COC(c2cncc(-c3c4ccccc4c(-c4cncc(-c5ncco5)c4)c4ccccc34)c2)N1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.34
HDAC4 P56524 1/20 0.32
LTA4H P09960 1/20 0.32

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
SCHEMBL16159550 0.92 MCL1 (0.35) HPGDSHDAC4LTA4H
SCHEMBL16159231 0.92 MCL1 (0.35) HPGDSHDAC4LTA4H
SCHEMBL16159585 0.92 MCL1 (0.35) HPGDSHDAC4LTA4H
SCHEMBL16159551 0.92 MCL1 (0.35) HPGDSHDAC4LTA4H
SCHEMBL16159210 0.90 CCNC (0.32) LTA4H
SCHEMBL16159211 0.90 HPGDS (0.33) HPGDSHDAC4LTA4H
SCHEMBL16159169 0.89 KDM4E (0.32)
SCHEMBL16159587 0.87 CCNC (0.34)
SCHEMBL16159490 0.85 HPGDS (0.36) HPGDSHDAC4LTA4H
SCHEMBL17704350 0.81 HPGDS (0.49) HPGDSHDAC4LTA4H

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