SCHEMBL18919456

SCHEMBL18919456

O=C(O)NCCNCCCN1C(=O)C=C(Br)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RGS4 P49798 1/20 0.40
HDAC3 O15379 5/20 0.36
HDAC4 P56524 5/20 0.36
HDAC1 Q13547 5/20 0.36
HDAC7 Q8WUI4 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC10 Q969S8 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
HDAC8 Q9BY41 5/20 0.36
HDAC6 Q9UBN7 5/20 0.36
HDAC9 Q9UKV0 5/20 0.36
HDAC5 Q9UQL6 5/20 0.36
SIRT1 Q96EB6 1/20 0.33
ACHE P22303 4/20 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
SCHEMBL20574598 0.82 RGS4 (0.41) RGS4
SCHEMBL18919435 0.79 PTGS1 (0.49)
SCHEMBL4855647 0.74 RGS4 (0.41) RGS4SIRT1
SCHEMBL15433041 0.73 PTGS1 (0.57) RGS4HDAC3HDAC4HDAC1HDAC7
SCHEMBL4852749 0.72 PTGS1 (0.60) RGS4HDAC3HDAC4HDAC1HDAC7
SCHEMBL4846116 0.72 PTGS1 (0.60) RGS4HDAC3HDAC4HDAC1HDAC7
SCHEMBL20574477 0.71 RGS4 (0.50) RGS4SIRT1
SCHEMBL18925542 0.70 RGS4 (0.42) RGS4HDAC3HDAC4HDAC1HDAC7
SCHEMBL18919457 0.69 ACHE (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL20210376 0.69 PTGS1 (0.44) RGS4HDAC3HDAC4HDAC1HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3383846-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS Sammut, Ivan Andrew (NZ) 2018-10-10 EP disclosed
WO-2017095237-A1 CARBON MONOXIDE RELEASING NORBORNENONE COMPOUNDS SAMMUT IVAN ANDREW (NZ) 2017-06-08 WO disclosed