SCHEMBL14103271

SCHEMBL14103271

C=C(c1cc(Br)ccc1NC(=O)CCC(=O)N(C)C)N1CC(C)CC(CC)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 4/20 0.34
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
THRB P10828 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKR1C2 P52895 1/20 0.32
AKR1C1 Q04828 1/20 0.32
HTT P42858 1/20 0.32
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL4887377 0.91 POLB (0.43) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL14103274 0.84 ALDH1A1 (0.40) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4886327 0.83 POLB (0.46) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL14102808 0.81 MAPK1 (0.42) POLBKDM4ETDP1MAPK1ALDH1A1
SCHEMBL14103272 0.79 KDM4E (0.41) POLBKDM4ETDP1SMN1; SMN2L3MBTL1
SCHEMBL14103623 0.77 KDM4E (0.44) POLBKDM4ESMN1; SMN2ALDH1A1NPSR1
SCHEMBL14103273 0.76 HTT (0.44) POLBKDM4ESMN1; SMN2ALDH1A1THRB
SCHEMBL4886249 0.76 POLB (0.41) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL4883942 0.76 POLB (0.47) POLBKDM4ETDP1MAPK1SMN1; SMN2
SCHEMBL14102820 0.76 LMNA (0.39) KDM4EALDH1A1NPSR1

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-2008098859-A1 HCV POLYMERASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-08-21 WO disclosed