SCHEMBL16159293

SCHEMBL16159293

CC1(C)c2cc(-c3ccc(-c4ncco4)cc3)ccc2-c2c1cc(-c1ccc(-c3ncco3)cc1)c1ccccc21

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.39
BRD4 O60885 2/20 0.38
TNKS O95271 1/20 0.36
BACE1 P56817 2/20 0.35
BACE2 Q9Y5Z0 2/20 0.35
CCNC P24863 2/20 0.35
CDK8 P49336 2/20 0.35
HPGDS O60760 1/20 0.35
HDAC4 P56524 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
HPGD P15428 2/20 0.33
MCL1 Q07820 1/20 0.32
CHRNA7 P36544 1/20 0.31
CHRNA10 Q9GZZ6 1/20 0.31
CHRNA9 Q9UGM1 1/20 0.31
PDK2 Q15119 1/20 0.31
ACLY P53396 1/20 0.30
IMPDH2 P12268 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
SCHEMBL16159531 0.91 BRD4 (0.37) LTA4HBRD4TNKSBACE1BACE2
SCHEMBL16159067 0.90 LTA4H (0.44) LTA4HBRD4TNKSBACE1BACE2
SCHEMBL16159749 0.88 BACE1 (0.35) LTA4HBRD4TNKSBACE1BACE2
SCHEMBL16159183 0.87 BRD4 (0.36) LTA4HBRD4TNKSCCNCCDK8
SCHEMBL16159284 0.84 LTA4H (0.38) LTA4HBRD4BACE1BACE2CCNC
SCHEMBL16159327 0.84 LTA4H (0.40) LTA4HBRD4TNKSBACE1BACE2
SCHEMBL16159292 0.84 LTA4H (0.43) LTA4HBRD4TNKSBACE1BACE2
SCHEMBL17704346 0.82 BRD4 (0.36) LTA4HBRD4TNKSBACE1BACE2
SCHEMBL16159119 0.81 HPGDS (0.40) LTA4HBRD4TNKSBACE1BACE2
SCHEMBL16159581 0.78 SCN9A (0.36) HDAC4EDNRBEDNRAIMPDH2

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