SCHEMBL4617358

SCHEMBL4617358

O=S(=O)(O)c1cc(Nc2nc(NCCO)nc(NCCO)n2)ccc1C=Cc1ccc(Nc2nc(NCCO)nc(NCCO)n2)cc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
CA5A P35218 2/20 0.49
CA5B Q9Y2D0 1/20 0.49
CA3 P07451 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
RECQL P46063 1/20 0.49
MCL1 Q07820 1/20 0.49
KCNH3 Q9ULD8 3/20 0.45
ENPP2 Q13822 1/20 0.45
ABCG2 Q9UNQ0 1/20 0.44
ALDH1A1 P00352 2/20 0.43
FCGR3B O75015 1/20 0.43
FCGR1A P12314 1/20 0.43
FCGR2A P12318 1/20 0.43

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
SCHEMBL12935328 1.00 CA12 (0.49) CA12CA1CA2CA9CA14
SCHEMBL2202442 0.94 RECQL (0.60) CA12CA1CA2CA9CA14
SCHEMBL14421440 0.94 RECQL (0.60) CA12CA1CA2CA9CA14
SCHEMBL14391287 0.94 CA9 (0.58) CA12CA1CA2CA9CA14
SCHEMBL2202963 0.94 CA9 (0.58) CA12CA1CA2CA9CA14
SCHEMBL8410526 0.93 RECQL (0.59) CA12CA1CA2CA9CA14
SCHEMBL8410553 0.93 RECQL (0.59) CA12CA1CA2CA9CA14
SCHEMBL16671697 0.93 RECQL (0.59) CA12CA1CA2CA9CA14
SCHEMBL2218468 0.93 CA9 (0.60) CA12CA1CA2CA9CA14
Potassium SCHEMBL2219951 0.93 RECQL (0.59) CA12CA1CA2CA9CA14

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
EP-1881108-A1 Fluorescent Whitening Compositions CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2008-01-23 EP disclosed