SCHEMBL9130728

SCHEMBL9130728

O=C(Nc1cccc2[nH]ccc12)c1ccccc1OCCCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.52
HDAC1 Q13547 2/20 0.52
BRD4 O60885 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
DHPS P49366 3/20 0.47
MCL1 Q07820 1/20 0.47
PARP1 P09874 2/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL9132310 0.91 MEN1 (0.50) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9132900 0.89 HDAC3 (0.52) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9129235 0.86 MEN1 (0.50) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9132797 0.86 RXFP1 (0.58) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9132015 0.85 HTR1B (0.60) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9132886 0.85 HTR1A (0.48) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9130336 0.85 DHPS (0.50) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9132566 0.84 DHPS (0.49) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9133428 0.84 DHPS (0.51) HDAC3HDAC1BRD4HDAC4HDAC7
SCHEMBL9132132 0.83 RXFP1 (0.46) HDAC3HDAC1BRD4HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380722-A Antiarrhythmia agents ROUSSEL-UCLAF (FR) 1995-01-10 US disclosed
US-5084455-A Antiarrhythmia agents for mammals ROUSSEL UCLAF (FR) 1992-01-28 US disclosed
US-4908367-A Antiarrythmic agents Uclaf, Roussel (FR) 1990-03-13 US disclosed