SCHEMBL6612802

SCHEMBL6612802

CCOC(=O)Oc1csc(C)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CUL4A Q13619 2/20 0.39
FHIT P49789 1/20 0.38
SOAT1 P35610 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
PRKCZ Q05513 4/20 0.36
TYMS P04818 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAOA P21397 1/20 0.36

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 0.87 ALDH1A1 (0.39) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL6611248 0.84 ALOX5 (0.43) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL6152982 0.82 MAPT (0.40) ALDH1A1MAPTMEN1KMT2ACUL4A
Hydrochloric Acid SCHEMBL6611617 0.82 ALDH1A1 (0.38) ALDH1A1MAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL6610508 0.81 MAPT (0.39) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL7473336 0.78 MAPT (0.32) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL6610237 0.78 MAPT (0.35) ALDH1A1MAPTKMT2ARAB9ASMN1; SMN2
SCHEMBL6586460 0.76 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL7471159 0.75 ALDH1A1 (0.40) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL3218276 0.74 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2ANPC1

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