SCHEMBL5048692

SCHEMBL5048692

O=C(O)C(=O)NC(Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1Br)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
RXFP1 Q9HBX9 1/20 0.43
POLB P06746 1/20 0.42
PLAAT3 P53816 2/20 0.42
PLAAT5 Q96KN8 2/20 0.42
PLAAT2 Q9NWW9 2/20 0.42
PLAAT4 Q9UL19 2/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 1/20 0.39
CA9 Q16790 1/20 0.39
KLK7 P49862 1/20 0.39

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
SCHEMBL6023305 1.00 MEN1 (0.43) MEN1KMT2ARXFP1POLBPLAAT3
SCHEMBL5048719 0.96 MEN1 (0.45) MEN1KMT2APOLBPLAAT3PLAAT5
SCHEMBL6022081 0.94 MEN1 (0.43) MEN1KMT2ARXFP1POLBPLAAT3
SCHEMBL5044952 0.94 MEN1 (0.43) MEN1KMT2ARXFP1POLBPLAAT3
SCHEMBL5045311 0.91 GLI1 (0.44) MEN1KMT2APOLBPLAAT3PLAAT5
SCHEMBL5044001 0.90 MEN1 (0.42) MEN1KMT2ARXFP1POLBPLAAT3
SCHEMBL5043892 0.84 GLI1 (0.43) MEN1KMT2ARXFP1POLBPLAAT3
SCHEMBL6022090 0.84 GLI1 (0.43) MEN1KMT2ARXFP1POLBPLAAT3
SCHEMBL1857111 0.79 MEN1 (0.45) MEN1KMT2ARXFP1POLBPLAAT3
SCHEMBL5043725 0.76 RAB9A (0.58) KMT2ANPC1RAB9AMAPT

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 1 patent. 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 disclosed