SCHEMBL10869142

SCHEMBL10869142

COC(=O)CCC(=O)c1ccc(CCNS(=O)(=O)C2=CC=CCC2=S)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
AKR1C3 P42330 4/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TBXA2R P21731 1/20 0.37
TBXAS1 P24557 1/20 0.37
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL9718385 0.76 ALDH1A1 (0.64) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL9718429 0.75 TBXA2R (0.59) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL9718387 0.75 ALDH1A1 (0.62) CA12CA7CA9CA14ALDH1A1
SCHEMBL9718405 0.74 PKM (0.57) CA12CA7CA9CA14ALDH1A1
SCHEMBL9718367 0.72 TBXAS1 (0.58) TBXA2RTBXAS1
SCHEMBL9661496 0.70 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MAPTMEN1KMT2A
SCHEMBL6448431 0.69 TSHR (0.41) ALDH1A1HTTMAPTKMT2AL3MBTL1
SCHEMBL3844834 0.69 CYP4A11 (0.62) ALDH1A1HTTMAPTKMT2AL3MBTL1
SCHEMBL10463166 0.68 ALDH1A1 (0.61) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1
SCHEMBL10463248 0.67 ALDH1A1 (0.64) AKR1C3ALDH1A1SMN1; SMN2TBXA2RTBXAS1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0194548-A2 Sulfonylaminoethyl compounds, medicines containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1986-09-17 EP disclosed