SCHEMBL11235933

SCHEMBL11235933

Cn1[nH]c(=O)n(-c2ccc(Cl)cc2)c1=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
POLB P06746 2/20 0.43
MAPT P10636 6/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GFER P55789 1/20 0.38
MDM2 Q00987 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
ALOX12 P18054 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL6829856 0.75 S1PR4 (0.37) KDM4EHTT
SCHEMBL31442507 0.73 GSK3A (0.51) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL11243422 0.71 GSK3A (0.50) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL31090336 0.69 MAPT (0.50) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL11613139 0.69 GSK3A (0.44) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL3022499 0.69 GSK3A (0.60) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL9473443 0.67 SMN1; SMN2 (0.43) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL9623389 0.66 POLB (0.56) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL11243329 0.66 GSK3A (0.44) SMN1; SMN2GSK3AGSK3BPOLBMAPT
SCHEMBL23643029 0.66 GSK3A (0.47) SMN1; SMN2GSK3AGSK3BPOLBMAPT

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
US-4326878-A Herbicidal and plant-growth-regulating 1,2,4-trisubstituted-1,2,4-triazolidin-3,5-dithiones CHEVRON RESEARCH (US) 1982-04-27 US disclosed
US-4276420-A PRE- AND POST-EMERGENCE CHEVRON RESEARCH COMPANY (US) 1981-06-30 US disclosed