SCHEMBL17226314

SCHEMBL17226314

CNc1cc(-c2ccccc2)sc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.68
PTPRF P10586 1/20 0.68
IKBKB O14920 4/20 0.58
MAPT P10636 2/20 0.58
KDM4E B2RXH2 1/20 0.58
ALDH1A1 P00352 1/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 1/20 0.57
POLB P06746 1/20 0.57
CRHBP P24387 1/20 0.57
KMT2A Q03164 1/20 0.57
CRHR2 Q13324 1/20 0.57
HPGD P15428 1/20 0.56
PTPRA P18433 1/20 0.53

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
SCHEMBL2157496 0.87 MAPT (0.76) IKBKBMAPTKDM4EALDH1A1LMNA
SCHEMBL611492 0.86 IKBKB (0.52) PTPN1PTPRFIKBKBMAPTKDM4E
SCHEMBL17226318 0.86 PTPN1 (0.70) PTPN1IKBKBMAPTKDM4EALDH1A1
SCHEMBL8239558 0.83 PTPN1 (0.62) PTPN1PTPRFIKBKBMAPTKDM4E
SCHEMBL27653932 0.83 PTPN1 (0.62) PTPN1PTPRFIKBKBMAPTKDM4E
SCHEMBL2455311 0.83 PTPN1 (0.62) PTPN1PTPRFIKBKBMAPTKDM4E
SCHEMBL17226313 0.82 IKBKB (0.52) PTPN1PTPRFIKBKBMAPTKDM4E
SCHEMBL3070348 0.82 IKBKB (0.82) PTPN1PTPRFIKBKBMAPTMEN1
SCHEMBL27610380 0.81 NPSR1 (0.57) PTPN1PTPRFIKBKBKDM4E
SCHEMBL6317621 0.81 PTPN1 (1.00) PTPN1PTPRFIKBKBMAPTMEN1

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-2403860-B1 PHOSPHOTHIOPHENE AND PHOSPHOTHIAZOLE AS HCV POLYMERASE INHIBITORS IDENIX PHARMACEUTICALS INC (US) 2015-11-04 EP disclosed