SCHEMBL5043673

SCHEMBL5043673

CCCCCCCCCCCCNC(=O)c1cc(Br)c(CNCc2cccc(C(F)(F)F)c2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
PLA2G1B P04054 1/20 0.49
CYP3A4 P08684 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
MLYCD O95822 2/20 0.47
TP53BP1 Q12888 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
HDAC3 O15379 3/20 0.44
HDAC1 Q13547 3/20 0.44
HDAC2 Q92769 2/20 0.44
LMNA P02545 1/20 0.44
NAMPT P43490 1/20 0.44

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
SCHEMBL5039489 0.89 MLYCD (0.50) ALDH1A1POLBMEN1KMT2AMLYCD
SCHEMBL5044055 0.89 MLYCD (0.51) ALDH1A1POLBMEN1KMT2ACYP1A2
SCHEMBL5048864 0.88 ALDH1A1 (0.62) ALDH1A1POLBMEN1KMT2ACYP1A2
SCHEMBL1852697 0.87 MLYCD (0.58) ALDH1A1POLBMEN1KMT2ACYP1A2
SCHEMBL5043670 0.86 ALDH1A1 (0.50) ALDH1A1POLBMEN1KMT2ACYP1A2
SCHEMBL5045263 0.86 MAPK14 (0.48) CYP1A2CYP2D6CYP2C19MLYCDHDAC3
SCHEMBL1857201 0.83 ALDH1A1 (0.45) ALDH1A1POLBMEN1KMT2ACYP1A2
SCHEMBL6022152 0.83 DRD2 (0.43) CYP1A2CYP2D6CYP2C19MLYCDLMNA
SCHEMBL5044022 0.81 MRGPRX4 (0.56) ALDH1A1POLBMLYCDTP53BP1MRGPRX4
SCHEMBL5044051 0.79 ALDH1A1 (0.51) ALDH1A1POLBMEN1KMT2ACYP1A2

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-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed