SCHEMBL6423152

SCHEMBL6423152

NC(=O)CN1CCCC1.O=C1Cc2cc(S(=O)(=O)O)ccc2N1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 15/20 0.56
KMT2A Q03164 2/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMYD3 Q9H7B4 3/20 0.44

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
SCHEMBL6423157 0.85 GAA (0.57) GAAKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL2203244 0.82 GAA (0.64) GAAKMT2ATDP1MEN1SMN1; SMN2
Hydrochloric Acid SCHEMBL28865546 0.81 GAA (0.62) GAAKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL6424637 0.78 GAA (0.49) GAAKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL5843055 0.75 GRIN2B (0.58) GAAALDH1A1SMYD3
SCHEMBL7564279 0.74 GRIN2B (0.57) GAAALDH1A1SMYD3
SCHEMBL5841131 0.73 GAA (0.97) GAAKMT2AMEN1SMN1; SMN2
SCHEMBL4046212 0.73 GAA (0.57) GAATDP1SMN1; SMN2SMYD3
Dimethylformamide SCHEMBL27577776 0.73 GAA (0.53) GAAKMT2ATDP1MEN1SMN1; SMN2
SCHEMBL12431407 0.72 GAA (1.00) GAAKMT2AMEN1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP disclosed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO disclosed
EP-1255752-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS Sugen, Inc. (US) 2002-11-13 EP disclosed
WO-2001060814-A2 PYRROLE SUBSTITUTED 2-INDOLINONE PROTEIN KINASE INHIBITORS SUGEN, INC. (US) 2001-08-23 WO disclosed