SCHEMBL10494697

SCHEMBL10494697

O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
PTPRF P10586 1/20 0.58
PTPN2 P17706 1/20 0.58
PTPN1 P18031 1/20 0.58
PTPN11 Q06124 1/20 0.58
HTT P42858 1/20 0.57
CYP19A1 P11511 1/20 0.56
CA2 P00918 2/20 0.55
CA1 P00915 1/20 0.55
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C19 P33261 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL4692690 0.96 MAPT (0.56) MAPTGAAPTPRFPTPN2PTPN1
SCHEMBL9800415 0.87 MEN1 (0.56) MAPTGAAPTPRFPTPN2PTPN1
SCHEMBL1937924 0.85 CYP19A1 (0.58) MAPTGAACYP19A1CA2MEN1
SCHEMBL10494724 0.85 MAPT (0.58) MAPTGAAPTPRFPTPN2PTPN1
SCHEMBL6804800 0.85 MAPT (0.58) MAPTGAAPTPRFPTPN2PTPN1
SCHEMBL813026 0.83 CA2 (0.68) CA2CA1KMT2ACYP1A2ALDH1A1
SCHEMBL121841 0.83 CYP19A1 (0.80) MAPTCYP19A1CA2CA1MEN1
SCHEMBL3563645 0.82 MAPT (0.60) MAPTPTPRFPTPN2PTPN1PTPN11
SCHEMBL30963225 0.82 HTT (0.66) MAPTGAAPTPRFPTPN2PTPN1
SCHEMBL10494719 0.81 CA2 (0.62) MAPTGAAPTPRFPTPN2PTPN1

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-4816470-A Heterocyclic compounds GLAXO GROUP LIMITED 1989-03-28 US disclosed