SCHEMBL5227928

SCHEMBL5227928

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
ALOX12 P18054 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
FLT1 P17948 1/20 0.45
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
ALOX15 P16050 2/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
TXNRD1 Q16881 1/20 0.44

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
SCHEMBL5230424 0.89 ALDH1A1 (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5227914 0.88 CDK1 (0.53) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5231082 0.86 ALDH1A1 (0.43) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5237280 0.86 CES1 (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5232901 0.85 MAPK1 (0.46) KMT2AMAPTALDH1A1TDP1LMNA
SCHEMBL5228023 0.85 CA2 (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5234203 0.84 ALDH1A1 (0.42) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5227591 0.84 CDK1 (0.52) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5228196 0.83 CA12 (0.49) MEN1KMT2AMAPTALDH1A1TDP1
SCHEMBL5227872 0.82 CYP19A1 (0.46) MEN1KMT2AMAPTALDH1A1TDP1

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