SCHEMBL5039488

SCHEMBL5039488

CCCCCCCCCCCCNC(=O)c1cc(Br)c(C[N]Cc2ccc(C(F)(F)F)cc2)c(Br)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.49
NAAA Q02083 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
CA2 P00918 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.43
NAMPT P43490 1/20 0.43
LMNA P02545 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 1/20 0.41
TP53BP1 Q12888 1/20 0.40
PLK1 P53350 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
SCHEMBL5043670 0.90 ALDH1A1 (0.50) MLYCDNAAAL3MBTL1ALDH1A1POLB
SCHEMBL6717480 0.88 MLYCD (0.53) MLYCDNAAAL3MBTL1ALDH1A1POLB
SCHEMBL6022530 0.85 MLYCD (0.58) MLYCDNAAAL3MBTL1ALDH1A1POLB
SCHEMBL5039489 0.84 MLYCD (0.50) MLYCDNAAAL3MBTL1ALDH1A1POLB
SCHEMBL5045260 0.82 NAMPT (0.46) MLYCDNAAAHPGDSMN1; SMN2NAMPT
SCHEMBL6726138 0.81 MLYCD (0.56) MLYCDNAAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL1850905 0.80 TMEM97 (0.46) MLYCDNAAAL3MBTL1ALDH1A1POLB
SCHEMBL5044051 0.79 ALDH1A1 (0.51) MLYCDNAAAL3MBTL1ALDH1A1POLB
SCHEMBL5039922 0.78 MLYCD (0.58) MLYCDNAAAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28929298 0.78 MLYCD (0.76) MLYCDNAAAL3MBTL1ALDH1A1POLB

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