SCHEMBL20850583

SCHEMBL20850583

CC(=O)Nc1ccc(SCl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
HTT P42858 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
GAA P10253 1/20 0.58
KMT2A Q03164 6/20 0.57
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 4/20 0.57
MAPT P10636 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
CA12 O43570 1/20 0.57
BRD4 O60885 1/20 0.57
NR1I2 O75469 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MB P02144 1/20 0.57
CYP1A1 P04798 1/20 0.57
CA3 P07451 1/20 0.57
CYP3A4 P08684 1/20 0.57
RARG P13631 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL5026270 0.83 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL3959278 0.83 SMN1; SMN2 (0.64) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL861674 0.82 SMN1; SMN2 (0.84) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL3074944 0.81 ALDH1A1 (0.70) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL21291520 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL9713055 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL5659977 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL19672881 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL5026275 0.79 SMN1; SMN2 (0.59) SMN1; SMN2HTTL3MBTL1GAAKMT2A
SCHEMBL10921326 0.79 MEN1 (0.55) SMN1; SMN2HTTL3MBTL1GAAKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019056246-A1 TRIAZINONE DERIVATIVE CONTAINING SULFONYL STRUCTURE AND PREPARATION METHOD THEREFOR, AND INSECTICIDAL AND BACTERICIDAL USES THEREOF 南开大学 2019-03-28 WO disclosed