SCHEMBL14573196

SCHEMBL14573196

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.46
CYP3A4 P08684 1/20 0.46
KAT6A Q92794 1/20 0.45
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 2/20 0.43
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
XBP1 P17861 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
MDM2 Q00987 1/20 0.43
RXRA P19793 1/20 0.43

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
SCHEMBL8684013 0.81 NFE2L2 (0.56) TP53SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL3492741 0.81 KAT6A (0.51) TP53CYP3A4KAT6ACHRM2CHRM1
SCHEMBL9058916 0.81 TP53 (0.53) TP53CYP3A4KAT6ACHRM2CHRM1
SCHEMBL11340502 0.80 LMNA (0.63) TP53SMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL14773591 0.80 TP53 (0.52) TP53CYP3A4KAT6ACHRM2CHRM1
SCHEMBL13592998 0.80 TP53 (0.52) TP53CYP3A4KAT6ACHRM2CHRM1
SCHEMBL29469874 0.78 CA1 (0.62) TP53CYP3A4KAT6ALMNAKDM4E
SCHEMBL5610159 0.78 CA1 (0.62) TP53CYP3A4KAT6ALMNAKDM4E
SCHEMBL3283827 0.78 TP53 (0.50) TP53CYP3A4KAT6ACHRM2CHRM1
SCHEMBL5610156 0.78 KAT6A (0.51) TP53CYP3A4KAT6ACHRM2CHRM1

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-7183367-B2 Vinyl sulphone modified polymer N.V. ORGANON (NL) 2007-02-27 US disclosed