SCHEMBL2218680

SCHEMBL2218680

O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)ccc1C=Cc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3)n2)cc1S(=O)(=O)O.[H+].[NaH]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.44
CA1 P00915 8/20 0.44
CA2 P00918 8/20 0.44
CA9 Q16790 8/20 0.44
USP2 O75604 2/20 0.42
APEX1 P27695 2/20 0.42
CHAT P28329 2/20 0.42
CA14 Q9ULX7 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
P2RY4 P51582 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL2220496 0.93 CA12 (0.44) CA12CA1CA2CA9USP2
SCHEMBL2205827 0.93 CA12 (0.50) CA12CA1CA2CA9USP2
SCHEMBL2220393 0.92 CA12 (0.46) CA12CA1CA2CA9USP2
SCHEMBL18043806 0.92 CA12 (0.47) CA12CA1CA2CA9USP2
SCHEMBL2205601 0.92 CA12 (0.47) CA12CA1CA2CA9USP2
SCHEMBL2219896 0.91 CA12 (0.50) CA12CA1CA2CA9USP2
SCHEMBL2219162 0.88 CHAT (0.42) CA12CA1CA2CA9USP2
SCHEMBL7536394 0.88 RAD51 (0.49) CA12CA1CA2CA9USP2
SCHEMBL2218910 0.87 CA9 (0.54) CA12CA1CA2CA9USP2
SCHEMBL16200042 0.87 CHAT (0.53) CA12CA1CA2CA9USP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546300-B2 Thermosensitive recording material and image recording method RICOH COMPANY, LTD. (JP) 2013-10-01 US disclosed
US-20110177941-A1 THERMOSENSITIVE RECORDING MATERIAL AND IMAGE RECORDING METHOD RICOH COMPANY, LTD. (JP) 2011-07-21 US disclosed