SCHEMBL6828696

SCHEMBL6828696

COC(=O)c1cccc(N2CCCS2(=O)=O)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.67
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 1/20 0.60
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.47
ALDH1A1 P00352 2/20 0.46

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
SCHEMBL1583553 0.87 TP53 (0.52) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL14584575 0.86 POLB (0.70) TP53POLBSMN1; SMN2MAPTGAA
SCHEMBL4833669 0.85 TP53 (0.64) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5434812 0.84 ALDH1A1 (0.60) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL4397150 0.84 POLB (0.91) TP53POLBSMN1; SMN2MAPTGAA
SCHEMBL475737 0.83 POLB (0.55) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL18767065 0.82 POLB (0.54) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5901042 0.82 TP53 (0.48) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5225022 0.81 TP53 (0.47) TP53POLBSMN1; SMN2MAPTALDH1A1
SCHEMBL5222204 0.81 TP53 (0.47) TP53POLBSMN1; SMN2MAPTALDH1A1

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
WO-2004111022-A1 3-(1,1-DIOXOTETRAHYDRO-1,2-THIAZIN-2-YL) or 3-(1,1-DOXO-ISOTHIAZOLIDIN-2YL) SUBSTITUTED BENZAMIDE COMPOUNDS AS ASP2 INHIBITORS GLAXO GROUP LIMITED (GB) 2004-12-23 WO disclosed