SCHEMBL5704134

SCHEMBL5704134

NC(=O)OC[C@@](O)(CCc1ccc(Br)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.38
GPR52 Q9Y2T5 1/20 0.37
PDPK1 O15530 1/20 0.37
EPHX1 P07099 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM3 P20309 1/20 0.36
KIF11 P52732 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
SLC13A5 Q86YT5 1/20 0.35
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35

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
SCHEMBL5704019 0.92 LMNA (0.47) LMNAMEN1KMT2ATDP1GPR52
SCHEMBL6240885 0.86 SCN5A (0.40) MEN1KMT2AKIF11
SCHEMBL5703830 0.86 CHRNA7 (0.39) LMNAMEN1KMT2ACYP1A2CYP2C9
SCHEMBL5703836 0.79 CHRNA7 (0.43) LMNAMEN1KMT2ATDP1
SCHEMBL5703983 0.77 MAPT (0.43) MEN1KMT2AEPHX1POLB
SCHEMBL6246482 0.74 SCN5A (0.40) LMNAKIF11
Hydroxyphenamate SCHEMBL5704281 0.74 KMT2A (0.42) LMNAMEN1KMT2ACHRM2CHRM3
Hydroxyphenamate SCHEMBL546919 0.74 KMT2A (0.42) LMNAMEN1KMT2ACHRM2CHRM3
SCHEMBL27647644 0.72 CTSK (0.43) SMN1; SMN2
SCHEMBL5640773 0.70 CHRM3 (0.44) LMNAMEN1KMT2ACHRM2CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed