SCHEMBL6866546

SCHEMBL6866546

CCOc1cc(C(=O)OC)cc(O)c1I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
XDH P47989 2/20 0.51
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
NFKB1 P19838 1/20 0.51
GFER P55789 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
FUT7 Q11130 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
HPGD P15428 1/20 0.46
CREBBP Q92793 2/20 0.45
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45

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
SCHEMBL6865895 0.90 CREBBP (0.49) LMNAXDHKDM4EPOLBGAA
SCHEMBL16055159 0.88 CA12 (0.53) PDE4APDE4BPDE4CPDE4DCA12
SCHEMBL28343949 0.83 LMNA (0.58) LMNAXDHKDM4EPOLBGAA
SCHEMBL2965222 0.83 USP2 (0.49) KDM4EGAATDP1PDE4APDE4B
SCHEMBL6872463 0.83 CREBBP (0.44) LMNAXDHKDM4EPOLBGAA
SCHEMBL23755951 0.82 KDM4E (0.46) LMNAXDHKDM4EPOLBGAA
SCHEMBL16055084 0.81 ESR1 (0.49) LMNAXDHKDM4EPOLBGAA
SCHEMBL9276266 0.81 LMNA (0.51) LMNAXDHKDM4EPOLBGAA
SCHEMBL6872746 0.81 LMNA (0.69) LMNAXDHKDM4EPOLBGAA
SCHEMBL6865198 0.80 HPGD (0.71) LMNAKDM4EL3MBTL1HPGDKMT2A

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-6821980-B1 Substituted 5-benzyl-2,4-diaminopyrimidines BASILEA PHARMACEUTICA AG (CH) 2004-11-23 US disclosed