SCHEMBL7457602

SCHEMBL7457602

C#CS(=O)(=O)c1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.44
ACHE P22303 1/20 0.42
ALDH1A1 P00352 3/20 0.41
FBP1 P09467 8/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 1/20 0.41
MMP2 P08253 1/20 0.41
EDNRA P25101 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL14641990 0.80 KMT2A (0.50) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL822302 0.76 KMT2A (0.59) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL29468572 0.76 KMT2A (0.59) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL22818584 0.74 ALDH1A1 (0.51) KMT2AALDH1A1CA12CA1CA2
SCHEMBL12808 0.74 KMT2A (0.57) KMT2AMEN1ACHEALDH1A1FBP1
Hydrochloric Acid SCHEMBL11279258 0.74 KMT2A (0.57) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL15607666 0.74 KMT2A (0.57) KMT2AMEN1ACHEALDH1A1MAPT
SCHEMBL1721592 0.74 GAA (0.54) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL330676 0.74 KMT2A (0.57) KMT2AMEN1ACHEALDH1A1FBP1
SCHEMBL29547938 0.73 KMT2A (0.67) KMT2AMEN1ALDH1A1FBP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162962-A4 ALKYNYL ARYL SULFONES LONZA AG (US) 2002-10-30 EP disclosed
EP-1162962-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2001-12-19 EP disclosed
US-6232503-B1 MICROBIOCIDES LONZA INC. 2001-05-15 US disclosed
WO-2000056305-A1 ALKYNYL ARYL SULFONES LONZA INC. (US) 2000-09-28 WO disclosed