SCHEMBL5039489

SCHEMBL5039489

CCCCCCCCCCCCNC(=O)c1cc(Br)c(CNCc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.50
NAAA Q02083 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.45
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 1/20 0.44
LSS P48449 1/20 0.43
HDAC3 O15379 4/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
PPARD Q03181 1/20 0.42
POLB P06746 1/20 0.42
RORC P51449 1/20 0.42
EPHX2 P34913 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 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
SCHEMBL5043673 0.89 ALDH1A1 (0.50) MLYCDNAAAALDH1A1MEN1KMT2A
SCHEMBL6022102 0.89 LSS (0.47) LSSPPARGPPARAPPARDRORC
SCHEMBL1853826 0.88 MLYCD (0.64) MLYCDNAAAL3MBTL1ALDH1A1MEN1
SCHEMBL5048873 0.88 MLYCD (0.54) MLYCDNAAAL3MBTL1HPGDALDH1A1
SCHEMBL5039488 0.84 MLYCD (0.49) MLYCDNAAAL3MBTL1HPGDALDH1A1
SCHEMBL5044022 0.83 MRGPRX4 (0.56) MLYCDNAAAALDH1A1SMN1; SMN2HDAC3
SCHEMBL1850905 0.82 TMEM97 (0.46) MLYCDNAAAL3MBTL1HPGDALDH1A1
SCHEMBL6716860 0.81 MLYCD (0.58) MLYCDNAAAL3MBTL1ALDH1A1MEN1
SCHEMBL6718748 0.81 MLYCD (0.58) MLYCDNAAAL3MBTL1ALDH1A1MEN1
SCHEMBL1852697 0.81 MLYCD (0.58) MLYCDNAAAL3MBTL1ALDH1A1MEN1

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-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed