SCHEMBL14257520

SCHEMBL14257520

C=C(/N=C(\N=C(/N)c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1)c1ccc(C2CCCCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC1 Q13547 1/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
DEGS1 O15121 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
ACMSD Q8TDX5 1/20 0.33
NAMPT P43490 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL2636397 0.75 MEN1 (0.60) KDM4EHDAC8HDAC6HDAC1NOS3
SCHEMBL2636394 0.75 MEN1 (0.60) KDM4EHDAC8HDAC6HDAC1NOS3
SCHEMBL12812106 0.72 HDAC8 (0.51) KDM4EHDAC8HDAC6HDAC1KMT2A
SCHEMBL13241449 0.71 GRIN2B (0.46) KDM4EMEN1KMT2ARAB9A
Hydrochloric Acid SCHEMBL8506101 0.70 HDAC8 (0.50) HDAC8HDAC6HDAC1NOS3NOS1
Hydrochloric Acid SCHEMBL4986176 0.70 HDAC8 (0.58) KDM4EHDAC8HDAC6HDAC1KMT2A
SCHEMBL10764944 0.68 HDAC8 (0.50) HDAC8HDAC6HDAC1NOS3NOS1
SCHEMBL507535 0.68 HDAC8 (0.50) HDAC8HDAC6HDAC1NOS3NOS1
SCHEMBL2744667 0.68 HDAC8 (0.59) KDM4EHDAC8HDAC6HDAC1KMT2A
SCHEMBL8244021 0.67 HDAC8 (0.53) KDM4EHDAC8HDAC6HDAC1KMT2A

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-2008025997-A1 COMPOUNDS FOR USE IN OPTO-ELECTRICAL DEVICES CDT OXFORD LIMITED (GB) 2008-03-06 WO disclosed