SCHEMBL6609561

SCHEMBL6609561

CC(C)OC(=O)Oc1csc(C(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 0.33
PRKCI P41743 1/20 0.33
PRKCZ Q05513 1/20 0.33
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL6615690 0.87 KDM4E (0.40) PRKCZMAPTALDH1A1KDM4EGLA
SCHEMBL6610237 0.84 MAPT (0.35) ADRA1APDE4DNEK1PRKCIPRKCZ
SCHEMBL27462492 0.82 KDM4E (0.36) ADRA1AMAPTALDH1A1KDM4EHTT
Hydrochloric Acid SCHEMBL6611617 0.81 ALDH1A1 (0.38) PRKCZMAPTPOLBALDH1A1KDM4E
SCHEMBL6610787 0.80 ADRA1A (0.33) ADRA1APDE4DNEK1PRKCIPRKCZ
SCHEMBL6608999 0.78 NEK1 (0.31) ADRA1APDE4DNEK1PRKCIPRKCZ
SCHEMBL22882734 0.70 ALDH1A1 (0.50) MAPTCA12CA1CA2CA7
SCHEMBL7461253 0.70 MAPT (0.37) ADRA1APDE4DPRKCIPRKCZMAPT
SCHEMBL23271942 0.69 TSHR (0.44) MAPTNPSR1CA12CA1CA2
SCHEMBL30003452 0.69 TSHR (0.44) MAPTNPSR1CA12CA1CA2

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