SCHEMBL7448043

SCHEMBL7448043

O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc(F)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.65
GAA P10253 2/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
PKM P14618 2/20 0.56
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
LMNA P02545 1/20 0.53
CYP19A1 P11511 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
AR P10275 1/20 0.51
HSPD1 P10809 1/20 0.51
PTPN2 P17706 1/20 0.51
PTPN1 P18031 1/20 0.51
PTPN5 P54829 1/20 0.51
HSPE1 P61604 1/20 0.51

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
SCHEMBL15660019 0.85 GUSB (0.56) L3MBTL1GAASMN1; SMN2CA2HSD17B1
SCHEMBL7445075 0.84 GAA (0.64) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL410747 0.84 AR (0.67) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL31235173 0.84 AR (0.67) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL17077916 0.83 L3MBTL1 (0.65) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL3625980 0.83 L3MBTL1 (0.69) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL28270283 0.83 L3MBTL1 (0.65) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL27176648 0.83 L3MBTL1 (0.61) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL27176681 0.81 SMN1; SMN2 (0.64) L3MBTL1GAASMN1; SMN2PKMCA1
SCHEMBL176826 0.81 L3MBTL1 (0.66) L3MBTL1GAASMN1; SMN2PKMCA1

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-0777660-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1997-06-11 EP disclosed
WO-1996005185-A1 NOVEL ALKYLAMINO DERIVATIVES AS SIGMA 2 SELECTIVE LIGANDS MITSUBISHI CHEMICAL CORPORATION (JP) 1996-02-22 WO disclosed