SCHEMBL13664857

SCHEMBL13664857

CC(CCN(CC=O)Cc1ccccc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 2/20 0.41
DCUN1D1 Q96GG9 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNH2 Q12809 1/20 0.38
EPHX2 P34913 1/20 0.38
CCR4 P51679 2/20 0.38
HTT P42858 1/20 0.37
FPR2 P25090 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
RORC P51449 1/20 0.36
G6PD P11413 1/20 0.36
PPARG P37231 1/20 0.35
G6PC1 P35575 1/20 0.35
ATM Q13315 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
SCHEMBL13664728 0.74 BACE1 (0.43) UBE2MDCUN1D1MEN1KMT2AGAA
SCHEMBL13664869 0.73 SIGMAR1 (0.46) MEN1KMT2ATDP1KCNH2EPHX2
SCHEMBL8716574 0.72 SIGMAR1 (0.52) MEN1KMT2AGAATDP1KCNH2
SCHEMBL13664860 0.71 MMP8 (0.41) MEN1KMT2AKCNH2EPHX2CCR4
SCHEMBL8140522 0.68 HPGD (0.50) UBE2MDCUN1D1MEN1KMT2AGAA
SCHEMBL24326164 0.68 L3MBTL1 (0.45) MEN1KMT2AHTTSIGMAR1ATM
SCHEMBL1650495 0.67 CA2 (0.47)
SCHEMBL13664802 0.66 MEN1 (0.50) MEN1KMT2AHTTFPR2
SCHEMBL123966 0.65 CA2 (0.45)
SCHEMBL5007883 0.65 CCR4 (0.49) MEN1KMT2AGAATDP1KCNH2

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
WO-2009119528-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 WO disclosed