SCHEMBL13716006

SCHEMBL13716006

C=C(Nc1cc(-c2ccccc2)sc1C(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.63
PTPRA P18433 2/20 0.63
PTPRF P10586 1/20 0.60
MAPT P10636 3/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
CRHBP P24387 1/20 0.55
KMT2A Q03164 1/20 0.55
CRHR2 Q13324 1/20 0.55
TP53 P04637 1/20 0.54
KDM4E B2RXH2 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
IKBKB O14920 2/20 0.51
ACLY P53396 1/20 0.51
HPGD P15428 1/20 0.48

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
SCHEMBL2157766 0.87 MAPT (0.67) PTPN1PTPRAPTPRFMAPTMEN1
SCHEMBL12839858 0.81 MAPT (0.78) PTPN1PTPRAPTPRFMAPTMEN1
SCHEMBL3076668 0.80 PTPN1 (0.75) PTPN1PTPRAPTPRFMAPTKMT2A
SCHEMBL2157462 0.79 PTPN1 (0.62) PTPN1PTPRAPTPRFMAPTMEN1
SCHEMBL2252377 0.79 PTPN1 (0.55) PTPN1PTPRAPTPRFMAPTMEN1
SCHEMBL6311435 0.78 PTPN1 (1.00) PTPN1PTPRAPTPRFKMT2AKDM4E
SCHEMBL6534391 0.78 PTPN1 (0.75) PTPN1PTPRAPTPRFMAPTPOLB
SCHEMBL3064014 0.77 IKBKB (0.83) PTPN1PTPRAPTPRFMAPTMEN1
SCHEMBL3070348 0.77 IKBKB (0.82) PTPN1PTPRAPTPRFMAPTMEN1
SCHEMBL2157661 0.76 HPGD (0.84) MAPTPOLBKMT2ATP53KDM4E

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-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP disclosed