SCHEMBL727376

SCHEMBL727376

C=CCNC(=O)c1ccccc1SSc1ccccc1C(=O)NCC=C

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
HPGD P15428 6/20 0.64
CYP1A2 P05177 2/20 0.64
MAPT P10636 2/20 0.56
TP53 P04637 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
LMNA P02545 2/20 0.51
ALOX15 P16050 1/20 0.49
POLB P06746 2/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CA1 P00915 2/20 0.48
CA9 Q16790 2/20 0.48
CA2 P00918 1/20 0.47

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
SCHEMBL11091273 0.84 ALDH1A1 (0.59) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL11589347 0.81 ALDH1A1 (0.58) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL5885064 0.79 HPGD (0.68) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL3459359 0.79 CA1 (0.70) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL7978017 0.79 HPGD (0.68) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL10788652 0.79 POLB (0.53) ALDH1A1HPGDL3MBTL1LMNAPOLB
SCHEMBL461826 0.78 HPGD (0.66) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL1561753 0.78 HPGD (0.66) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL16634735 0.78 HPGD (0.66) ALDH1A1HPGDCYP1A2MAPTTP53
SCHEMBL4559294 0.78 HPGD (0.66) ALDH1A1HPGDCYP1A2MAPTTP53

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-2575476-A1 SYNERGISTIC BIOCIDE COMPOSITION CONTAINING AT LEAST THREE BIOCIDE COMPONENTS THOR GmbH (DE) 2013-04-10 EP disclosed
WO-2011147558-A1 SYNERGISTIC BIOCIDE COMPOSITION CONTAINING AT LEAST THREE BIOCIDE COMPONENTS THOR GMBH (DE) 2011-12-01 WO disclosed