SCHEMBL13270878

SCHEMBL13270878

O=C(O)c1sc(-c2ccccc2)cc1NCc1cccc(-c2cc3ccccc3o2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.46
▸ PTPRF P10586 1/20 0.46
▸ IKBKB O14920 1/20 0.42
▸ PTPRA P18433 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MMP12 P39900 1/20 0.39
▸ MMP13 P45452 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
SCHEMBL13715912 0.90 MAPT (0.50) MAOAMAOBALDH1A1TP53HPGD
SCHEMBL12357351 0.82 PTPN1 (0.61) PTPN1PTPRFIKBKBPTPRAKMT2A
SCHEMBL27610463 0.81 PTPN1 (0.59) PTPN1PTPRFIKBKBPTPRAKMT2A
SCHEMBL3811053 0.80 PTPN1 (0.48) PTPN1PTPRFIKBKBPTPRAALDH1A1
SCHEMBL614118 0.74 CDC7 (0.54) PTPN1PTPRFIKBKBPTPRAKMT2A
SCHEMBL12922055 0.71 IKBKB (0.54) PTPN1PTPRFIKBKBHDAC2ALDH1A1
SCHEMBL2157963 0.71 IKBKB (0.54) PTPN1PTPRFIKBKBPTPRAALDH1A1
SCHEMBL2157913 0.70 ALDH1A1 (0.47) PTPN1PTPRFALDH1A1SMN1; SMN2HPGD
SCHEMBL16425579 0.69 RAB9A (0.59) SMN1; SMN2TP53HPGDKMT2AMEN1
SCHEMBL12464634 0.69 PSMB5 (0.38) ALDH1A1HPGDKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2206709-A2 Thiophene derivatives as antiviral agents for flavivirus infection Virochem Pharma Inc. (CA) 2010-07-14 — — EP disclosed
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP disclosed
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