SCHEMBL6206224

SCHEMBL6206224

O=C(O)/C(Cl)=C(/c1ccccc1)c1cccs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.58
RAB9A P51151 5/20 0.51
DAO P14920 1/20 0.50
KMT2A Q03164 5/20 0.47
NPC1 O15118 4/20 0.47
MEN1 O00255 3/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
PKM P14618 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ERCC5 P28715 1/20 0.45
FEN1 P39748 1/20 0.45
ALOX15 P16050 1/20 0.45
GSK3B P49841 1/20 0.44

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
SCHEMBL6206230 1.00 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6207875 0.79 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6207871 0.79 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL29176103 0.79 HPGDS (0.61) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6715199 0.78 HPGDS (0.51) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6206226 0.76 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6206234 0.76 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL158020 0.74 HPGDS (1.00) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL14947051 0.72 CES2 (0.75) HPGDSRAB9ADAOKMT2ANPC1
Water SCHEMBL28007578 0.72 HPGDS (0.96) HPGDSRAB9ADAOKMT2ANPC1

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-1532128-A1 INHIBITORS OF HCV NS5B POLYMERASE Pharmacia & Upjohn Company LLC (US) 2005-05-25 EP disclosed
WO-2004002977-A1 INHIBITORS OF HCV NS5B POLYMERASE PHARMACIA & UPJOHN COMPANY LLC (US) 2004-01-08 WO disclosed