SCHEMBL2458770

SCHEMBL2458770

O=C(CNc1cc(-c2ccccc2)sc1C(=O)O)c1cc(Cl)cnc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.46
▸ PTPRF P10586 2/20 0.46
▸ PTPRA P18433 2/20 0.44
▸ ACLY P53396 1/20 0.43
▸ IKBKB O14920 3/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2254388 0.82 PTPN1 (0.52) PTPN1PTPRFPTPRAACLYIKBKB
SCHEMBL2250633 0.82 PTPN1 (0.52) PTPN1PTPRFPTPRAACLYIKBKB
SCHEMBL2158011 0.82 PTPN1 (0.47) PTPN1PTPRFPTPRAACLYIKBKB
SCHEMBL2247145 0.81 PTPN1 (0.49) PTPN1PTPRFPTPRAACLYIKBKB
SCHEMBL2252377 0.80 PTPN1 (0.55) PTPN1PTPRFPTPRAACLYMEN1
SCHEMBL2251240 0.80 PTPN1 (0.47) PTPN1PTPRFPTPRAACLYIKBKB
SCHEMBL2158083 0.78 PTPN1 (0.58) PTPN1PTPRFPTPRAIKBKBMEN1
SCHEMBL2250470 0.78 PTPN1 (0.52) PTPN1PTPRFPTPRAIKBKBMEN1
SCHEMBL3811151 0.76 PTPN1 (0.50) PTPN1PTPRFPTPRAIKBKBMEN1
SCHEMBL2251143 0.76 PTPN1 (0.50) PTPN1PTPRFPTPRAIKBKBMEN1

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-2363396-A1 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2011-09-07 — — EP disclosed
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