SCHEMBL8026294

SCHEMBL8026294

O=[N+]([O-])c1c(O)cccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDX3X O00571 1/20 0.63
MAPT P10636 4/20 0.57
GAA P10253 3/20 0.57
KMT2A Q03164 3/20 0.57
HTT P42858 2/20 0.57
RECQL P46063 2/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.57
UQCRB P14927 2/20 0.53
ALDH1A1 P00352 3/20 0.51
CRHBP P24387 3/20 0.50
CRHR2 Q13324 3/20 0.50
HSP90AA1 P07900 2/20 0.50
HSD17B2 P37059 1/20 0.50
KDM4E B2RXH2 1/20 0.49
GFER P55789 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
ERBB2 P04626 1/20 0.48
HSP90AB1 P08238 1/20 0.48
CA12 O43570 1/20 0.48

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
SCHEMBL3619602 0.82 ALDH1A1 (0.51) DDX3XMAPTKMT2ARECQLMEN1
SCHEMBL10619003 0.82 FFAR4 (0.53) DDX3XMAPTKMT2ARECQLMEN1
SCHEMBL9749517 0.82 CRHBP (0.60) DDX3XMAPTKMT2ARECQLMEN1
SCHEMBL17978559 0.79 MAPT (0.58) DDX3XMAPTGAAKMT2AHTT
SCHEMBL752345 0.79 GAA (0.80) DDX3XMAPTGAAKMT2AHTT
SCHEMBL18023815 0.79 DDX3X (0.74) DDX3XMAPTGAAKMT2AHTT
SCHEMBL11863940 0.77 DDX3X (1.00) DDX3XMAPTGAAKMT2AHTT
SCHEMBL11499330 0.77 MAPT (0.55) DDX3XMAPTGAAKMT2AHTT
SCHEMBL2003165 0.76 ALDH1A1 (0.66) MAPTKMT2AHTTRECQLMAPK1
SCHEMBL30561863 0.76 ALDH1A1 (0.66) MAPTKMT2AHTTRECQLMAPK1

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
US-6114532-A ANTICOAGULANT BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-09-05 US disclosed