SCHEMBL9644758

SCHEMBL9644758

C=C(CS(=O)(=O)c1ccccc1C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
DDR1 Q08345 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.34
ACLY P53396 1/20 0.34
RXFP1 Q9HBX9 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BCAT1 P54687 1/20 0.33
HSD11B1 P28845 1/20 0.33
CA12 O43570 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
SCHEMBL9644519 0.83 KMT2A (0.44) PTGES2ALDH1A1MCOLN3KEAP1NFE2L2
SCHEMBL9644754 0.79 HSD11B1 (0.54) ALDH1A1TP53POLBHTTKMT2A
SCHEMBL9644500 0.75 GAA (0.47) ALDH1A1POLBDDR1HSD11B1
SCHEMBL17783669 0.75 ALDH1A1 (0.46) ALDH1A1MCOLN3POLBKEAP1NFE2L2
SCHEMBL9643700 0.74 MAOA (0.41) PTGES2ALDH1A1SMN1; SMN2ALOX12CA1
SCHEMBL9645793 0.71 PTGES2 (0.44) PTGES2ALDH1A1HTTKMT2AHSD11B1
SCHEMBL9644833 0.71 KMT2A (0.46) ALDH1A1KMT2AMEN1HSD11B1
SCHEMBL581476 0.70 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2POLBKEAP1NFE2L2
SCHEMBL2068996 0.70 FFAR1 (0.51) ALDH1A1POLBKEAP1NFE2L2ALOX12
SCHEMBL9721164 0.70 ITGA1 (0.48) PTGES2KMT2AMEN1HSD11B1

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
US-5123953-A DIHALOGENATED HERBICIDAL SULPHONES RHONE-POULENC AGROCHIMIE (FR) 1992-06-23 US disclosed