SCHEMBL435408

SCHEMBL435408

O=CC(S)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
HSD17B10 Q99714 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7575571 0.79 TP53 (0.50) TP53LMNAHTTTDP1IDO1
SCHEMBL3978958 0.78 TP53 (0.48) TP53LMNAHTTTDP1IDO1
SCHEMBL28227421 0.77 TP53 (0.44) TP53LMNAHTTTDP1IDO1
SCHEMBL1961187 0.76 TP53 (0.47) TP53LMNAHTTTDP1IDO1
SCHEMBL21495096 0.76 TP53 (0.47) TP53LMNAHTTTDP1IDO1
SCHEMBL838659 0.76 TP53 (0.57) TP53LMNAHTTTDP1IDO1
SCHEMBL9447753 0.76 TP53 (0.47) TP53LMNAHTTTDP1IDO1
SCHEMBL28247019 0.76 LMNA (0.43) TP53LMNAHTTTDP1IDO1
SCHEMBL17755076 0.73 LMNA (0.53) TP53LMNAHTTTDP1IDO1
SCHEMBL4686827 0.73 TP53 (0.44) TP53LMNAHTTTDP1IDO1

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-2595984-A1 MICROBICIDES Syngenta Participations AG (CH) 2013-05-29 EP disclosed
WO-2012010568-A1 MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2012-01-26 WO disclosed