SCHEMBL6424642

SCHEMBL6424642

CCN(CC)CCN.O=C1Cc2cc(S(=O)(=O)O)ccc2N1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 4/20 0.48
GAA P10253 12/20 0.47
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL6424637 0.85 GAA (0.49) SMYD3GAAMAPTTDP1PKM
SCHEMBL2203244 0.82 GAA (0.64) SMYD3GAAMAPTTDP1PKM
Hydrochloric Acid SCHEMBL28865546 0.81 GAA (0.62) SMYD3GAAMAPTTDP1PKM
Dimethylformamide SCHEMBL27577776 0.78 GAA (0.53) GAAMAPTTDP1PKMKMT2A
SCHEMBL6424640 0.78 SIGMAR1 (0.53) SMYD3MAPTTDP1PKMKMT2A
SCHEMBL6423157 0.78 GAA (0.57) SMYD3GAATDP1KMT2AMEN1
SCHEMBL6602558 0.74 GAA (0.57) SMYD3GAAMAPTTDP1PKM
SCHEMBL6523246 0.74 AHR (0.47) SMYD3GAA
SCHEMBL6423152 0.72 GAA (0.56) SMYD3GAATDP1KMT2AMEN1
SCHEMBL1556955 0.71 GAA (0.60) SMYD3GAAMAPTTDP1PKM

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 3 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