SCHEMBL6715199

SCHEMBL6715199

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.51
RAB9A P51151 7/20 0.46
DAO P14920 1/20 0.44
KMT2A Q03164 6/20 0.43
NPC1 O15118 6/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.42
HPGD P15428 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MAPT P10636 2/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6714990 0.80 HPGDS (0.51) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6711029 0.80 HPGDS (0.51) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL27843525 0.80 ALDH1A1 (0.50) DAOKMT2AMEN1LMNAHPGD
SCHEMBL6206230 0.78 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6206224 0.78 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL29176103 0.78 HPGDS (0.61) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6207871 0.71 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL6207875 0.71 HPGDS (0.58) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL11424654 0.70 HPGDS (0.52) HPGDSRAB9ADAOKMT2ANPC1
SCHEMBL22319268 0.69 HPGDS (0.55) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109551-A4 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES COMPETITIVE TECH INC (US) 2004-10-20 EP disclosed
EP-1109551-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES Competitive Technologies, Inc. (US) 2001-06-27 EP disclosed
WO-2000010564-A1 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES COMPETITIVE TECHNOLOGIES, INC. (US) 2000-03-02 WO disclosed