SCHEMBL5048870

SCHEMBL5048870

CCCCCCCCCCCCNC(=O)c1ccc(CC([NH])c2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.45
NAAA Q02083 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
CA2 P00918 1/20 0.43
NAMPT P43490 1/20 0.43
PPARG P37231 3/20 0.42
PPARD Q03181 3/20 0.42
PPARA Q07869 3/20 0.42
POLB P06746 1/20 0.42
THRA P10827 1/20 0.40
THRB P10828 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
SCHEMBL5045572 0.90 ALDH1A1 (0.49) MLYCDL3MBTL1NAAAALDH1A1MEN1
SCHEMBL5044218 0.88 MLYCD (0.47) MLYCDL3MBTL1ALDH1A1PDK1PDK2
SCHEMBL5044016 0.82 MRGPRX4 (0.53) MLYCDL3MBTL1NAAAALDH1A1SMN1; SMN2
SCHEMBL5048860 0.82 MLYCD (0.53) MLYCDL3MBTL1NAAAALDH1A1MEN1
SCHEMBL5044228 0.82 NAMPT (0.46) MLYCDL3MBTL1NAAAMAPTSMN1; SMN2
SCHEMBL5039932 0.81 MLYCD (0.62) MLYCDL3MBTL1NAAAALDH1A1MEN1
SCHEMBL5048873 0.80 MLYCD (0.54) MLYCDL3MBTL1NAAAALDH1A1MEN1
SCHEMBL5047570 0.80 MEN1 (0.47) MLYCDMEN1KMT2ANAMPTPPARG
SCHEMBL6717480 0.80 MLYCD (0.53) MLYCDL3MBTL1NAAAALDH1A1MEN1
SCHEMBL6716858 0.79 MLYCD (0.54) MLYCDL3MBTL1NAAAALDH1A1MEN1

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