SCHEMBL27610463

SCHEMBL27610463

O=C(O)c1sc(-c2ccccc2)cc1NCc1ccccc1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.59
▸ PTPRF P10586 1/20 0.59
▸ IKBKB O14920 3/20 0.56
▸ PTPRA P18433 2/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CRHBP P24387 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51

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
SCHEMBL12357351 0.99 PTPN1 (0.61) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL614118 0.89 CDC7 (0.54) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL2157963 0.86 IKBKB (0.54) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL12922055 0.86 IKBKB (0.54) PTPN1PTPRFIKBKBMEN1MAPT
SCHEMBL13270878 0.81 PTPN1 (0.46) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL614262 0.79 CDC7 (0.65) IKBKB
SCHEMBL2158083 0.79 PTPN1 (0.58) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL23451959 0.78 KDM4E (0.57) PTPN1IKBKBPOLBMAPT
SCHEMBL2158574 0.78 PTPN1 (0.51) PTPN1PTPRFIKBKBPTPRAMEN1
SCHEMBL612007 0.77 MAPT (0.56) IKBKBPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101624391-A Thiophene derivatives as antiviral agents for flavivirus infection VIROCHEM PHARMA INC 2010-01-13 — — CN disclosed
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 — — CN disclosed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 — — CN disclosed
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