SCHEMBL2555737

SCHEMBL2555737

CS(=O)(=O)c1cc(Br)ccc1C=CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
MIF P14174 1/20 0.41
EPRS1 P07814 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
NFKB1 P19838 1/20 0.38
CA4 P22748 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GAA P10253 1/20 0.36
WDR5 P61964 1/20 0.36

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
SCHEMBL2555735 1.00 EIF2AK2 (0.42) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF
SCHEMBL18503835 0.81 MAPT (0.45) MIFKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL1403486 0.77 MAPT (0.46) MAPTWDR5
SCHEMBL4714050 0.77 ESR1 (0.50) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF
SCHEMBL4714044 0.77 ESR1 (0.50) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF
SCHEMBL1793926 0.76 ERN1 (0.46) CA1CA2ALDH1A1SMN1; SMN2CA12
SCHEMBL5448079 0.76 EIF2AK2 (0.55) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF
SCHEMBL5906775 0.74 EIF2AK2 (0.49) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF
SCHEMBL16634243 0.73 BACE1 (0.47) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF
SCHEMBL1469976 0.73 MIF (0.67) EIF2AK2CSNK2A2CSNK2BCSNK2A1MIF

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-2011123937-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed