SCHEMBL13664869

SCHEMBL13664869

CC(CCNCc1ccccc1)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
EPHX2 P34913 1/20 0.44
FPR2 P25090 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G1B P04054 1/20 0.42
POLB P06746 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNH2 Q12809 2/20 0.41
TMEM97 Q5BJF2 2/20 0.41
G6PD P11413 1/20 0.41
HTT P42858 1/20 0.40
DRD4 P21917 1/20 0.40
LMNA P02545 1/20 0.40
MAOA P21397 1/20 0.39
S1PR2 O95136 1/20 0.39
S1PR4 O95977 1/20 0.39

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
SCHEMBL8716574 0.80 SIGMAR1 (0.52) SIGMAR1FPR2MEN1KMT2ATDP1
SCHEMBL13664860 0.78 MMP8 (0.41) EPHX2MEN1KMT2AKCNH2TMEM97
SCHEMBL13664802 0.75 MEN1 (0.50) FPR2MEN1KMT2APLA2G1BATG4B
SCHEMBL13664721 0.74 MAOA (0.51) SIGMAR1MEN1KMT2ATDP1ATM
SCHEMBL13664857 0.73 UBE2M (0.41) SIGMAR1EPHX2FPR2MEN1KMT2A
SCHEMBL16362506 0.73 TMEM97 (0.71) SIGMAR1MEN1KMT2APOLBATM
SCHEMBL11511690 0.71 MEN1 (0.60) FPR2MEN1KMT2ATDP1PLA2G1B
SCHEMBL12744490 0.71 ALDH1A1 (0.63) EPHX2MEN1KMT2ATDP1POLB
SCHEMBL5784665 0.70 MEN1 (0.64) SIGMAR1MEN1KMT2ATDP1L3MBTL1
SCHEMBL11442742 0.70 MMP8 (0.44) SIGMAR1EPHX2TDP1POLBL3MBTL1

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