SCHEMBL6699009

SCHEMBL6699009

O=C(Nc1ccc(S(=O)(=O)O)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.69
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
S1PR3 Q99500 1/20 0.64
MAPT P10636 3/20 0.58
USP2 O75604 1/20 0.58
ESR1 P03372 1/20 0.58
NR4A1 P22736 1/20 0.58
PTK2B Q14289 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
SCN1A P35498 1/20 0.56
SCN4A P35499 1/20 0.56
SCN5A Q14524 1/20 0.56
SCN9A Q15858 1/20 0.56
SCN2A Q99250 1/20 0.56
SCN3A Q9NY46 1/20 0.56
SCN8A Q9UQD0 1/20 0.56
SCN10A Q9Y5Y9 1/20 0.56

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
SCHEMBL7651873 0.83 KMT2A (0.69) POLBKMT2AMEN1MAPTUSP2
SCHEMBL7649651 0.83 ALDH1A1 (0.65) POLBKMT2AMEN1MAPTUSP2
SCHEMBL1383257 0.82 POLB (1.00) POLBKMT2AMEN1S1PR3MAPT
SCHEMBL1593422 0.82 MEN1 (0.74) POLBKMT2AMEN1S1PR3MAPT
SCHEMBL7655884 0.82 KMT2A (0.71) KMT2AMEN1MAPTUSP2ESR1
SCHEMBL7652121 0.81 POLB (0.60) POLBKMT2AMEN1S1PR3MAPT
SCHEMBL7653410 0.80 ALDH1A1 (0.67) KMT2AMEN1MAPTUSP2SMN1; SMN2
SCHEMBL7651042 0.80 ALDH1A1 (0.66) POLBKMT2AMEN1MAPTSMN1; SMN2
SCHEMBL7649937 0.79 CYP2D6 (0.60) POLBKMT2AMEN1S1PR3MAPT
SCHEMBL1593502 0.79 ALDH1A1 (0.76) POLBKMT2AMEN1S1PR3MAPT

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
WO-2004080389-A2 HYDROXYEICOSADIENAMIDE COMPOUNDS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-09-23 WO disclosed