SCHEMBL5047570

SCHEMBL5047570

[NH]C(Cc1ccc(C(=O)NCCc2ccc(-c3ccccc3)cc2)cc1Br)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
MLYCD O95822 2/20 0.46
NAMPT P43490 1/20 0.45
HDAC4 P56524 1/20 0.43
MCHR1 Q99705 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ESRRG P62508 1/20 0.42
FAAH O00519 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
PLAAT3 P53816 1/20 0.41
PLAAT5 Q96KN8 1/20 0.41
PLAAT2 Q9NWW9 1/20 0.41
PLAAT4 Q9UL19 1/20 0.41

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
SCHEMBL5047575 0.83 MEN1 (0.50) MEN1KMT2ARXFP1MLYCDNAMPT
SCHEMBL5048870 0.80 MLYCD (0.52) MEN1KMT2AMLYCDNAMPTHDAC6
SCHEMBL1854683 0.80 MEN1 (0.46) MEN1KMT2ARXFP1MLYCDNAMPT
SCHEMBL5048692 0.74 MEN1 (0.43) MEN1KMT2ARXFP1HDAC4NPC1
SCHEMBL6023305 0.74 MEN1 (0.43) MEN1KMT2ARXFP1HDAC4NPC1
SCHEMBL5969299 0.73 ESRRG (0.73) MLYCDNAMPTNPC1RAB9AESRRG
SCHEMBL3062674 0.73 MLYCD (0.76) MEN1KMT2AMLYCDNAMPTHDAC4
SCHEMBL5044168 0.72 ALDH1A1 (0.47) MLYCDNAMPTHDAC2PPARG
SCHEMBL5045562 0.72 ALDH1A1 (0.47) MLYCDNAMPTHDAC2PPARG
SCHEMBL5045572 0.72 ALDH1A1 (0.49) MEN1KMT2AMLYCDNAMPTHDAC2

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 claimed