SCHEMBL7837786

SCHEMBL7837786

Nc1cccc(CCC(=O)Nc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SENP1 Q9P0U3 1/20 0.62
LTA4H P09960 2/20 0.62
RAB9A P51151 1/20 0.61
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
MAOB P27338 1/20 0.57
SIRT2 Q8IXJ6 2/20 0.56
SIRT1 Q96EB6 1/20 0.56
SIRT3 Q9NTG7 1/20 0.56
HDAC3 O15379 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HDAC9 Q9UKV0 1/20 0.53
HDAC5 Q9UQL6 1/20 0.53

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
SCHEMBL7839198 0.88 RAB9A (0.64) RAB9AMAPTGAAHDAC3HDAC4
SCHEMBL13501314 0.85 MAPT (0.71) RAB9AMAPTGAAMAOBHDAC3
SCHEMBL832694 0.82 LTA4H (0.65) SENP1LTA4HRAB9AMAPTGAA
SCHEMBL1074012 0.81 MAPT (0.68) RAB9AMAPTGAAHDAC3HDAC4
Hydrochloric Acid SCHEMBL8392031 0.81 MAPT (0.77) RAB9AMAPTGAAHDAC3HDAC4
SCHEMBL13850453 0.81 SENP1 (0.68) SENP1LTA4HRAB9AMAPTGAA
SCHEMBL4628541 0.80 MAPT (0.63) LTA4HRAB9AMAPTGAAHDAC3
SCHEMBL23283414 0.80 LTA4H (0.62) SENP1LTA4HRAB9AMAOBSIRT2
SCHEMBL7827432 0.79 PLAU (0.59) RAB9AMAPTGAAHDAC3HDAC4
SCHEMBL1142086 0.79 LTA4H (0.64) SENP1LTA4HRAB9AMAOBNR1H4

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
CN-1330638-A Substituted benzo [ de ] isoquinoline-1, 3-diones MERCK PATENT GMBH (DE) 2002-01-09 CN disclosed
EP-1144381-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GmbH (DE) 2001-10-17 EP disclosed
WO-2000032577-A2 SUBSTITUTED BENZO[DE]ISOQUINOLINE-1,3-DIONES MERCK PATENT GMBH (DE) 2000-06-08 WO disclosed