SCHEMBL4013159

SCHEMBL4013159

O=[N+]([O-])c1ccc2c(c1)oc1cc(S(=O)(=O)Cl)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
MEN1 O00255 1/20 0.62
MAPT P10636 1/20 0.62
MAOA P21397 1/20 0.42
ALPL P05186 2/20 0.42
ALPI P09923 2/20 0.42
PKM P14618 2/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDO2 P48775 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA9 Q16790 2/20 0.40
CA5A P35218 2/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 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
SCHEMBL3077820 0.93 MEN1 (0.57) KMT2AMEN1MAPTMAOAALPL
SCHEMBL3085245 0.93 MEN1 (0.61) KMT2AMEN1MAPTMAOAALPL
SCHEMBL7703302 0.85 MEN1 (0.82) KMT2AMEN1MAPTCYP11B1CYP11B2
SCHEMBL3065729 0.78 MEN1 (0.61) KMT2AMEN1MAPTMAOACA2
Dibenzofuran SCHEMBL28066911 0.77 MEN1 (1.00) KMT2AMEN1MAPTGAAPARP1
SCHEMBL483262 0.77 MEN1 (1.00) KMT2AMEN1MAPTGAAPARP1
SCHEMBL3072615 0.77 TSHR (0.56) KMT2AMEN1MAPTMAOAALPL
SCHEMBL2990038 0.76 MAPT (0.73) KMT2AMEN1MAPTPARP1S100A4
SCHEMBL5332842 0.76 MAPT (0.63) KMT2AMEN1MAPTMAOAALPL
SCHEMBL3085696 0.75 HPGD (0.46) KMT2AMEN1MAPTPKMGAA

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-2074107-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2009-07-01 EP disclosed
WO-2008057254-A2 TRICYCLIC COMPOUNDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH (US) 2008-05-15 WO disclosed