SCHEMBL5237280

SCHEMBL5237280

O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)sc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.49
IDH1 O75874 6/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.41
PRMT1 Q99873 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5228023 0.90 CA2 (0.49) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL5227591 0.89 CDK1 (0.52) IDH1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5231082 0.89 ALDH1A1 (0.43) IDH1MEN1KMT2AMAPTMAPK1
SCHEMBL5234203 0.89 ALDH1A1 (0.42) IDH1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL5228196 0.89 CA12 (0.49) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL5233848 0.87 ACLY (0.39) IDH1MEN1KMT2AALDH1A1
SCHEMBL5228629 0.86 IDH1 (0.51) CES1IDH1MEN1KMT2ASMN1; SMN2
SCHEMBL5227928 0.86 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL5227161 0.86 MEN1 (0.48) MEN1KMT2ASMN1; SMN2MAPTMAPK1
SCHEMBL5230286 0.84 IDH1 (0.48) CES1IDH1MEN1KMT2ASMN1; SMN2

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
EP-1519932-B1 BISARYLSULFONAMIDE COMPOUNDS AND THEIR USE IN CANCER THERAPY CYCLACEL LTD (GB) 2007-10-03 EP claimed