SCHEMBL5043670

SCHEMBL5043670

CCCCCCCCCCCCNC(=O)c1cc(Br)c(C[N]Cc2cccc(C(F)(F)F)c2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
POLB P06746 1/20 0.50
TP53BP1 Q12888 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.46
MLYCD O95822 2/20 0.45
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
HDAC2 Q92769 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
SCHEMBL5039488 0.90 MLYCD (0.49) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL5044051 0.89 ALDH1A1 (0.51) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL5043673 0.86 ALDH1A1 (0.50) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL5045260 0.86 NAMPT (0.46) MLYCDHDAC3HDAC1NAMPTNAAA
SCHEMBL1857201 0.82 ALDH1A1 (0.45) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL5044055 0.79 MLYCD (0.51) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL6717480 0.78 MLYCD (0.53) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL2358408 0.78 POLB (0.80) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL5048864 0.77 ALDH1A1 (0.62) ALDH1A1POLBTP53BP1MRGPRX4MLYCD
SCHEMBL5988813 0.77 ALDH1A1 (0.51) ALDH1A1POLBTP53BP1MRGPRX4MLYCD

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