SCHEMBL6014749

SCHEMBL6014749

Cc1ccc(Oc2cccc(S(N)(=O)=O)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
SOS1 Q07889 3/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA2 P00918 6/20 0.54
CA1 P00915 5/20 0.54
CA12 O43570 4/20 0.54
CA9 Q16790 4/20 0.54
ALDH1A1 P00352 2/20 0.53
CA3 P07451 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
PGR P06401 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
SCHEMBL13026671 0.86 HTT (0.76) HTTTDP1L3MBTL1SOS1SMN1; SMN2
SCHEMBL6851534 0.86 SOS1 (0.69) HTTSOS1CA2CA1CA12
SCHEMBL8738326 0.85 HTT (0.64) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL14572646 0.83 HTT (0.62) HTTTDP1L3MBTL1SOS1SMN1; SMN2
SCHEMBL8738420 0.81 HTT (0.59) HTTTDP1L3MBTL1SMN1; SMN2PGR
SCHEMBL19829814 0.79 HTT (0.87) HTTTDP1L3MBTL1SOS1SMN1; SMN2
SCHEMBL83816 0.78 TDP1 (0.61) HTTTDP1L3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL6850078 0.78 CA1 (0.48) SOS1CA2CA1CA12CA9
SCHEMBL30646273 0.77 CA2 (0.73) CA2CA1CA12CA9ALDH1A1
SCHEMBL792467 0.77 CA2 (0.73) CA2CA1CA12CA9ALDH1A1

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-2298311-B1 w-Carboxy aryl substituted diphenyl ureas as p38 kinase inhibitors BAYER HEALTHCARE LLC (US) 2012-05-09 EP disclosed
EP-1690853-B1 Use of omega-carboxyaryl substituted diphenyl ureas as raf kinase inhibitors BAYER HEALTHCARE LLC (US) 2010-03-10 EP disclosed