SCHEMBL6611248

SCHEMBL6611248

CCCc1scc(OC(=O)OCC)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.43
ALDH1A1 P00352 6/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
CUL4A Q13619 2/20 0.36
TYMS P04818 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
HPGD P15428 3/20 0.33
GAA P10253 2/20 0.33
PRKCZ Q05513 2/20 0.33
SOAT1 P35610 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL6216050 0.88 ALDH1A1 (0.39) ALOX5ALDH1A1MAPTMEN1NPC1
SCHEMBL6612802 0.84 ALDH1A1 (0.41) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL6608999 0.82 NEK1 (0.31) ALDH1A1SMN1; SMN2POLBMAPK1PRKCZ
Hydrochloric Acid SCHEMBL6611617 0.77 ALDH1A1 (0.38) ALOX5ALDH1A1MAPTMEN1NPC1
SCHEMBL3219948 0.75 HSP90AA1 (0.48) ALDH1A1MAPTMEN1NPC1RAB9A
Hydrochloric Acid SCHEMBL11109077 0.74 ALDH1A1 (0.48) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL6610576 0.73 KDM4E (0.37) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL6586460 0.71 ALDH1A1 (0.40) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL7471159 0.70 ALDH1A1 (0.40) ALDH1A1MAPTMEN1NPC1RAB9A
SCHEMBL3221087 0.69 GABRP (0.37) ALDH1A1MAPTMEN1NPC1RAB9A

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