SCHEMBL4628913

SCHEMBL4628913

O=[N+]([O-])c1cccc(S(=O)(=O)c2cc3ccccc3[nH]2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
MEN1 O00255 2/20 0.56
NPC1 O15118 1/20 0.56
POLB P06746 1/20 0.56
CA2 P00918 3/20 0.50
CA5A P35218 1/20 0.50
CA1 P00915 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP13 P45452 1/20 0.47
AKR1B1 P15121 1/20 0.44
LMNA P02545 3/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 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
SCHEMBL6662170 0.82 CYP19A1 (0.58) KMT2AGAAHTTMEN1NPC1
SCHEMBL31561597 0.79 CA2 (0.62) KMT2ANPC1CA2CA1AKR1B1
SCHEMBL3237494 0.79 CA2 (0.62) KMT2ANPC1CA2CA1AKR1B1
SCHEMBL29520525 0.78 CA2 (0.57) KMT2ACA2CA1AKR1B1LMNA
SCHEMBL4629441 0.77 CA2 (0.57) POLBCA2CA1AKR1B1LMNA
SCHEMBL9580710 0.77 KMT2A (1.00) KMT2AGAAHTTMEN1CA2
SCHEMBL3477247 0.76 KMT2A (0.89) KMT2AGAAHTTMEN1CA2
SCHEMBL28568569 0.75 CA2 (0.71) NPC1CA2CA1AKR1B1MAPT
SCHEMBL8960439 0.74 CA2 (0.56) GAACA2CA1AKR1B1MAPT
SCHEMBL670176 0.74 CA2 (0.56) KMT2AGAAMEN1CA2CA1

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-1919896-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. Suven Life Sciences Limited (IN) 2008-05-14 EP disclosed
WO-2007020652-A1 AMINOARYL SULPHONAMIDE DERIVATIVES AS FUNCTIONAL 5-HT6 LIGANDS. SUVEN LIFE SCIENCES LIMITED (IN) 2007-02-22 WO disclosed