SCHEMBL8650482

SCHEMBL8650482

CCCNC(=S)NNC(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
GAA P10253 9/20 0.47
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
KDM4E B2RXH2 2/20 0.42
EPHX1 P07099 1/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8646894 0.83 ALDH1A1 (0.54) ALDH1A1GAALMNAHTTKDM4E
SCHEMBL28640536 0.78 GAA (0.47) ALDH1A1GAAKDM4EKMT2ANPSR1
SCHEMBL21558604 0.76 GAA (0.46) ALDH1A1GAALMNAKDM4EPKM
SCHEMBL515070 0.75
Hydrochloric Acid SCHEMBL22345320 0.73
SCHEMBL27685126 0.73
SCHEMBL8553282 0.73 POLB (0.51) ALDH1A1GAALMNAHTTKDM4E
SCHEMBL12230061 0.73 EPHX1 (0.49) ALDH1A1GAAKDM4EEPHX1KMT2A
SCHEMBL1276262 0.72 ALDH1A1 (0.56) ALDH1A1GAALMNAHTTKDM4E
SCHEMBL10837318 0.72 GAA (0.50) ALDH1A1GAALMNAHTTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750718-A CHEMICAL INTERMEDIATES BAYER AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed
US-5599944-A Intermediates for herbicidal sulphonylaminocarbonyltriazolinones having substituents which are bonded via sulphur BAYER AKTIENGESELLSCHAFT (DE) 1997-02-04 US disclosed
US-5380863-A Herbicidal sulphonylaminocarbonyltriazolinones having substituents which are bonded via sulphur BAYER AKTIENGESELLSCHAFT (DE) 1995-01-10 US disclosed
US-5276162-A Herbicidal sulphonylaminocarbonyltriazolinones having substituents which are bonded via sulphur BAYER AKTIENGESELLSCHAFT (DE) 1994-01-04 US disclosed
US-5149356-A Herbicidal sulphonylaminocarbonyltriazolinones having substituents which are bonded via sulphur BAYER AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
US-5085684-A Herbicidal sulphonylaminocarbonyltriazolinones having substituents which are bonded via sulphur BAYER AKTIENGESELLSCHAFT (DE) 1992-02-04 US disclosed
EP-0431291-A2 Sulfonylaminocarbony-triazolinones having substituents attached through sulfur BAYER AG (DE) 1991-06-12 EP disclosed