SCHEMBL6547816

SCHEMBL6547816

C#CS(=O)(=O)c1ccc(SC)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ALDH1A1 P00352 15/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
PTGS2 P35354 2/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 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
SCHEMBL6550168 0.76 TSHR (0.43) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1721592 0.76 GAA (0.54) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL13026657 0.75 TSHR (0.59) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2991047 0.73 PTGS2 (0.67) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1892145 0.73 TSHR (0.52) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1805007 0.72 SMN1; SMN2 (0.59) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7452249 0.71 CA2 (0.50) MAPK1
SCHEMBL19181037 0.71 MMP2 (0.45) TSHRALDH1A1KMT2AMEN1PTGS2
SCHEMBL2035701 0.71 TSHR (0.50) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL7456723 0.71 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1PTGS2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1162962-B1 ALKYNYL ARYL SULFONES LONZA AG (US) 2004-12-01 EP claimed
EP-1162962-B1 ALKYNYL ARYL SULFONES LONZA AG (US) 2004-12-01 EP disclosed