SCHEMBL3809511

SCHEMBL3809511

O=C(CNc1cc(-c2ccccc2)sc1C(=O)O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ PTPN1 P18031 5/20 0.46
▸ PTPRF P10586 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL2247191 0.83 PTPN1 (0.46) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL28753503 0.83 PTPN1 (0.49) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2158083 0.82 PTPN1 (0.58) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2251143 0.79 PTPN1 (0.50) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2250413 0.79 PTPN1 (0.46) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2252377 0.79 PTPN1 (0.55) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2246923 0.78 KDM4E (0.49) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2254388 0.77 PTPN1 (0.52) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2249694 0.77 PTPN1 (0.54) MEN1KMT2APOLBMAPTCRHBP
SCHEMBL2249016 0.77 PTPN1 (0.47) MEN1KMT2APOLBMAPTCRHBP

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 7 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
CN-100509797-C Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2009-07-08 — — CN claimed
US-6881741-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2005-04-19 — — US claimed
CN-1602308-A Thiophene derivatives as antiviral agents against flavivirus infections VIRUS CHEM PHARMA INC (CA) 2005-03-30 — — CN claimed
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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