SCHEMBL6610787

SCHEMBL6610787

CCc1scc(OC(=O)OC(C)C)c1N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.33
PDE4D Q08499 1/20 0.33
NEK1 Q96PY6 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCZ Q05513 1/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 3/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL6608999 0.88 NEK1 (0.31) ADRA1APDE4DNEK1TDP1MMP2
SCHEMBL6610576 0.86 KDM4E (0.37) PRKCZPOLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL6610237 0.83 MAPT (0.35) ADRA1APDE4DNEK1MMP2MMP9
SCHEMBL6216050 0.81 ALDH1A1 (0.39) PRKCZPOLBALDH1A1SMN1; SMN2MAPK1
SCHEMBL6609561 0.80 ADRA1A (0.33) ADRA1APDE4DNEK1MMP2MMP9
SCHEMBL27462981 0.79 CYP4F2 (0.36) TDP1ALDH1A1MAPK1MAPTKDM4E
SCHEMBL7466413 0.76 ALDH1A1 (0.37) TDP1MMP2MMP9MMP14PRKCZ
SCHEMBL11113821 0.75 CA12 (0.39) PRKCIPRKCZPOLBALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7478362 0.75 ALDH1A1 (0.36) TDP1MMP2MMP9MMP14PRKCZ
Hydrochloric Acid SCHEMBL11113817 0.74 CA12 (0.38) PRKCIPRKCZPOLBALDH1A1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1200426-B1 SUBSTITUTED THIENE-3-YL-SULFONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER CROPSCIENCE AG (DE) 2004-02-25 EP disclosed
EP-1200426-A1 SUBSTITUTED THIENE-3-YL-SULFONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES Bayer Aktiengesellschaft (DE) 2002-05-02 EP disclosed
WO-2001005788-A1 SUBSTITUTED THIENE-3-YL-SULFONYL AMINO(THIO)CARBONYL-TRIAZOLIN(THI)ONES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-25 WO disclosed