SCHEMBL16159231

SCHEMBL16159231

C1=COC(c2cncc(-c3c4ccccc4c(-c4cncc(-c5ncco5)c4)c4ccc(-c5ccccc5)cc34)c2)N1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
HPGDS O60760 1/20 0.34
HDAC4 P56524 1/20 0.32
LTA4H P09960 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 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 1.00 MCL1 (0.35) MCL1HPGDSHDAC4LTA4HCCNC
SCHEMBL16159551 0.99 MCL1 (0.35) MCL1HPGDSHDAC4LTA4HCCNC
SCHEMBL16159585 0.99 MCL1 (0.35) MCL1HPGDSHDAC4LTA4HCCNC
SCHEMBL16159211 0.94 HPGDS (0.33) MCL1HPGDSHDAC4LTA4HCCNC
SCHEMBL16159158 0.92 HPGDS (0.34) HPGDSHDAC4LTA4H
SCHEMBL16159210 0.92 CCNC (0.32) MCL1LTA4HCCNCCDK8
SCHEMBL16159587 0.91 CCNC (0.34) MCL1CCNCCDK8
SCHEMBL16159169 0.89 KDM4E (0.32) CCNCCDK8
SCHEMBL16159474 0.88 HDAC4 (0.36) MCL1HPGDSHDAC4LTA4H
SCHEMBL16159446 0.88 HDAC4 (0.36) MCL1HPGDSHDAC4LTA4H

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