SCHEMBL6550168

SCHEMBL6550168

CSc1ccc(S(=O)(=O)C#CI)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 15/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 3/20 0.40
PTGS2 P35354 2/20 0.40
LMNA P02545 3/20 0.39
ALOX15 P16050 1/20 0.39
HPGD P15428 1/20 0.39
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL6547519 0.78 GAA (0.50) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL6547816 0.76 TSHR (0.46) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6548071 0.73 CA2 (0.52) ALDH1A1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL6548149 0.73 ALDH1A1 (0.52) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL6547655 0.73 PKM (0.55) ALDH1A1PTGS2GAA
SCHEMBL6548699 0.73 HTR6 (0.46) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL13026657 0.72 TSHR (0.59) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2991047 0.70 PTGS2 (0.67) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL1892145 0.70 TSHR (0.52) TSHRALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL28993337 0.69 TSHR (0.50) TSHRALDH1A1KMT2ASMN1; SMN2MEN1

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