SCHEMBL8553282

SCHEMBL8553282

C=CCNC(=S)NNC(=O)OC

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 4/20 0.49
GAA P10253 7/20 0.49
CA1 P00915 2/20 0.49
CA9 Q16790 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
LMNA P02545 3/20 0.48
ALPL P05186 1/20 0.48
MAPT P10636 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 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
SCHEMBL11362496 0.79 ALDH1A1 (0.56) POLBATMALDH1A1HTTGAA
SCHEMBL10117997 0.78
SCHEMBL7976644 0.76 ALDH1A1 (0.50) POLBATMALDH1A1HTTGAA
SCHEMBL394950 0.76 POLB (0.49) POLBATMALDH1A1HTTGAA
SCHEMBL8646894 0.76 ALDH1A1 (0.54) ALDH1A1HTTGAACA1CA9
SCHEMBL12725358 0.74
SCHEMBL8650482 0.73 ALDH1A1 (0.51) ALDH1A1HTTGAASMN1; SMN2LMNA
SCHEMBL5185769 0.72 ALDH1A1 (0.64) POLBATMALDH1A1GAACA1
SCHEMBL325076 0.72 ALDH1A1 (0.62) POLBALDH1A1GAASMN1; SMN2LMNA
SCHEMBL10633264 0.71 SMN1; SMN2 (0.45) POLBALDH1A1HTTGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0431291-B1 Sulfonylaminocarbony-triazolinones having substituents attached through sulfur BAYER AG (DE) 1998-07-29 EP 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
US-4616004-A 1-iodopropargyl-3,4-disubstituted-Δ2 -1,2,4-triazolidin-5-one fungicides CHEVRON RESEARCH COMPANY (US) 1986-10-07 US disclosed
EP-0194311-A1 1-IODOPROPARGYL-3,4-DISUBSTITUTED-$g(D)?2 -1,2,4-TRIAZOLIDIN-5-ONE FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1986-09-17 EP disclosed
WO-1986002071-A1 1-IODOPROPARGYL-3,4-DISUBSTITUTED-DELTA2-1,2,4-TRIAZOLIDIN-5-ONE FUNGICIDES CHEVRON RESEARCH COMPANY (US) 1986-04-10 WO disclosed