SCHEMBL3811053

SCHEMBL3811053

O=C(CNc1cc(-c2ccccc2)sc1C(=O)O)c1cc2ccccc2o1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.48
▸ PTPRF P10586 1/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ IKBKB O14920 3/20 0.43
▸ TP53 P04637 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ FLT3 P36888 1/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41

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
SCHEMBL13270878 0.80 PTPN1 (0.46) PTPN1PTPRFALDH1A1MAPTKDM4E
SCHEMBL2158083 0.80 PTPN1 (0.58) PTPN1PTPRFMAPTKDM4EIKBKB
SCHEMBL3817330 0.77 PTPN1 (0.50) PTPN1PTPRFMAPTIKBKBMEN1
SCHEMBL16425579 0.76 RAB9A (0.59) L3MBTL1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL2250633 0.74 PTPN1 (0.52) PTPN1PTPRFALDH1A1MAPTKDM4E
SCHEMBL2252377 0.74 PTPN1 (0.55) PTPN1PTPRFALDH1A1MAPTKDM4E
SCHEMBL2250470 0.74 PTPN1 (0.52) PTPN1PTPRFMAPTIKBKBMEN1
SCHEMBL2254388 0.74 PTPN1 (0.52) PTPN1PTPRFMAPTIKBKBMEN1
SCHEMBL12357351 0.74 PTPN1 (0.61) PTPN1PTPRFMAPTIKBKBMEN1
SCHEMBL16413260 0.74 NPC1 (0.55) PTPN1PTPRFL3MBTL1MAPTTP53

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-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 — — EP claimed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US claimed
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