SCHEMBL6610237

SCHEMBL6610237

Cc1scc(OC(=O)OC(C)C)c1N

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
POLB P06746 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRA1A P35348 1/20 0.35
PDE4D Q08499 1/20 0.35
ALDH1A1 P00352 6/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
PRKCI P41743 1/20 0.34
PRKCZ Q05513 1/20 0.34
NEK1 Q96PY6 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL6152982 0.84 MAPT (0.40) MAPTPOLBALDH1A1LMNAHPGD
SCHEMBL6609561 0.84 ADRA1A (0.33) MAPTPOLBNPSR1ADRA1APDE4D
Hydrochloric Acid SCHEMBL6610508 0.83 MAPT (0.39) MAPTPOLBALDH1A1LMNAHPGD
SCHEMBL6610787 0.83 ADRA1A (0.33) MAPTPOLBNPSR1ADRA1APDE4D
SCHEMBL6608999 0.80 NEK1 (0.31) POLBADRA1APDE4DALDH1A1PRKCI
SCHEMBL6612802 0.78 ALDH1A1 (0.41) MAPTPOLBALDH1A1LMNAHPGD
SCHEMBL7473336 0.77 MAPT (0.32) MAPTALDH1A1RAB9AKMT2A
SCHEMBL7461253 0.75 MAPT (0.37) MAPTPOLBNPSR1ADRA1APDE4D
Hydrochloric Acid SCHEMBL7465694 0.74 MAPT (0.36) MAPTPOLBNPSR1ADRA1APDE4D
SCHEMBL7476334 0.71 MAPT (0.32) MAPTPOLBNPSR1ADRA1APDE4D

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