SCHEMBL3582880

SCHEMBL3582880

CN(C)CCOc1ccccc1-c1nc2cccc(C(N)=O)c2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
DYRK3 O43781 1/20 0.47
MAP4K4 O95819 1/20 0.47
PIM1 P11309 1/20 0.47
RPS6KB1 P23443 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PKN2 Q16513 1/20 0.47
PIM3 Q86V86 1/20 0.47
BRSK1 Q8TDC3 1/20 0.47
AURKB Q96GD4 1/20 0.47
HIPK2 Q9H2X6 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
STK17A Q9UEE5 1/20 0.47
MAP4K5 Q9Y4K4 1/20 0.47
PARP1 P09874 2/20 0.47
HTR7 P34969 2/20 0.43
GUSB P08236 1/20 0.42

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
SCHEMBL6805384 0.88 CLK4 (0.44) ALDH1A1KDM4ESMN1; SMN2DYRK3MAP4K4
SCHEMBL3582877 0.83 PARP1 (0.69) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL6806567 0.83 CHEK2 (0.42) KDM4EDYRK3MAP4K4PIM1RPS6KB1
SCHEMBL8648025 0.82 PARP1 (0.67) PARP1GUSBPDE5ACHEK2
SCHEMBL3586495 0.82 ADORA2A (0.56) DYRK3MAP4K4PIM1RPS6KB1CSNK2A1
SCHEMBL3577822 0.80 MAP4K4 (0.72) ALDH1A1KDM4EDYRK3MAP4K4PIM1
SCHEMBL6810124 0.79 CLK4 (0.47) ALDH1A1KDM4EDYRK3MAP4K4PIM1
SCHEMBL6809867 0.76 CLK4 (0.42) ALDH1A1KDM4EDYRK3MAP4K4PIM1
SCHEMBL6799887 0.75 KDM4E (0.44) ALDH1A1KDM4EDYRK3MAP4K4PIM1
SCHEMBL4212045 0.75 LMNA (0.63) ALDH1A1KDM4ESMN1; SMN2PARP1HTR7

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
US-7781596-B1 Substituted 2-phenylbenzimidazoles, the production thereof and their use ABBOTT LABORATORIES (US) 2010-08-24 US disclosed