SCHEMBL5043838

SCHEMBL5043838

O=C(NCCc1ccc(-c2ccccc2)cc1)c1ccc(C[N]Cc2ccccc2I)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
HIF1A Q16665 3/20 0.46
KLK7 P49862 1/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
MCHR1 Q99705 1/20 0.42
CDK4 P11802 1/20 0.42

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
SCHEMBL5040027 0.90 MEN1 (0.50) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL5048609 0.89 MEN1 (0.46) MEN1KMT2ANPC1RAB9AKLK7
SCHEMBL5043839 0.88 MEN1 (0.50) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1854760 0.84 MEN1 (0.46) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL5040031 0.80 MEN1 (0.50) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL6022041 0.78 NPC1 (0.47) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL5048610 0.77 MEN1 (0.46) MEN1KMT2ANPC1RAB9AKLK7
SCHEMBL1851961 0.76 MEN1 (0.46) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL5044795 0.76 MEN1 (0.45) MEN1KMT2ANPC1RAB9AKLK7
SCHEMBL1868356 0.75 MEN1 (0.47) MEN1KMT2ARXFP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed