SCHEMBL5753447

SCHEMBL5753447

CN(C)c1ccc(CC(SCC2CCCCC2)C(CNC(=O)c2ccccc2O)NC(=O)C2NCCS2)cc1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
OPRM1 P35372 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL5754943 1.00 MEN1 (0.31) MEN1GAAKMT2ALMNAMAPT
SCHEMBL5757162 0.90 CACNA1B (0.34) KMT2A
SCHEMBL5756478 0.90 CACNA1B (0.34) KMT2A
SCHEMBL5755092 0.88 EPHX1 (0.32) GAALMNAMAPTL3MBTL1
SCHEMBL5755360 0.87 LMNA (0.34) MEN1GAAKMT2ALMNAMAPT
SCHEMBL5752525 0.86 BACE1 (0.32) LMNAMAPTMAPK1L3MBTL1TDP1
SCHEMBL5756667 0.82 REN (0.38) KMT2A
SCHEMBL5754504 0.81 ACKR3 (0.32) MEN1KMT2AMAPTTDP1
SCHEMBL5753219 0.80 ALDH1A1 (0.34) KMT2ALMNA
SCHEMBL5756787 0.79 ALDH1A1 (0.34) MEN1GAAKMT2ALMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997147-B1 AMINO ACID DERIVATIVES ONO PHARMACEUTICAL CO (JP) 2006-03-15 EP claimed