SCHEMBL14645927

SCHEMBL14645927

Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)C(=O)c3cc(-c5ccc(C=C6SC(=S)N(CC(=O)O)C6=O)s5)ccc3-4)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 4/20 0.59
MAPT P10636 2/20 0.46
PKM P14618 2/20 0.46
PTPN1 P18031 1/20 0.46
MAPK1 P28482 1/20 0.46
GALK1 P51570 1/20 0.46
MCL1 Q07820 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GFER P55789 2/20 0.44
CASP6 P55212 1/20 0.44
MEN1 O00255 1/20 0.44
PSMD14 O00487 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL14645926 1.00 PTPN22 (0.59) PTPN22MAPTPKMPTPN1MAPK1
SCHEMBL12661929 0.90 PTPN22 (0.63) PTPN22MAPTPKMPTPN1MAPK1
SCHEMBL12661930 0.88 PTPN22 (0.61) PTPN22MAPTPKMPTPN1MAPK1
SCHEMBL14773208 0.86 PTPN22 (0.59) PTPN22MAPTPKMPTPN1MAPK1
SCHEMBL12661916 0.85 PTPN22 (0.68) PTPN22KMT2A
SCHEMBL12661919 0.83 PTPN22 (0.66) PTPN22KMT2A
SCHEMBL12673226 0.82 PTPN22 (0.53) PTPN22MAPTPKMPTPN1MAPK1
SCHEMBL12673285 0.81 PTPN22 (0.53) PTPN22MAPTPKMPTPN1MAPK1
SCHEMBL14960876 0.79 PTPN22 (0.51) PTPN22MAPTPKMPTPN1MAPK1
SCHEMBL14382077 0.78 PTPN22 (0.56) PTPN22MAPTPTPN1MAPK1MEN1

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-2013008951-A1 ORGANIC DYE, DYE-SENSITIZED METAL OXIDE SEMICONDUCTOR ELECTRODE AND DYE-SENSITIZED SOLAR CELL NATIONAL INSTITUTE FOR MATERIALS SCIENCE (JP) 2013-01-17 WO disclosed