SCHEMBL5044952

SCHEMBL5044952

O=C(O)C(=O)NC(Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1Br)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
GLI1 P08151 1/20 0.42
GLI2 P10070 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
POLB P06746 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL6022081 1.00 MEN1 (0.43) MEN1KMT2ARXFP1GLI1GLI2
SCHEMBL5045311 0.96 GLI1 (0.44) MEN1KMT2AGLI1GLI2NPC1
SCHEMBL6023305 0.94 MEN1 (0.43) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL5048692 0.94 MEN1 (0.43) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL5043892 0.91 GLI1 (0.43) MEN1KMT2ARXFP1GLI1GLI2
SCHEMBL6022090 0.91 GLI1 (0.43) MEN1KMT2ARXFP1GLI1GLI2
SCHEMBL5048719 0.90 MEN1 (0.45) MEN1KMT2ANPC1RAB9AHDAC2
SCHEMBL5044001 0.84 MEN1 (0.42) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1855303 0.78 PTGES (0.46) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL1857111 0.77 MEN1 (0.45) 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 2 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