SCHEMBL6424640

SCHEMBL6424640

CCN(CC)CCNS(=O)(=O)c1ccc2c(c1)CC(=O)N2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
PKM P14618 2/20 0.52
IDO1 P14902 1/20 0.52
SMYD3 Q9H7B4 3/20 0.52
KMT2A Q03164 1/20 0.51
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GFER P55789 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
SCHEMBL4896390 0.86 PKM (0.57) PKMIDO1SMYD3MAPTTDP1
SCHEMBL4221206 0.83 BRD4 (0.66) PKMIDO1SMYD3MAPTTDP1
SCHEMBL2206236 0.83 CA12 (0.53) PKMIDO1SMYD3MAPTTDP1
SCHEMBL6424642 0.78 SMYD3 (0.48) PKMSMYD3KMT2AMAPTTDP1
SCHEMBL15668360 0.77 PKM (0.58) PKMSMYD3KMT2AMAPT
SCHEMBL689118 0.76 PKM (0.64) PKMIDO1SMYD3MAPTTDP1
SCHEMBL4046212 0.76 GAA (0.57) SIGMAR1PKMIDO1SMYD3MAPT
SCHEMBL17231389 0.76 PKM (0.64) PKMIDO1SMYD3KMT2AMAPT
SCHEMBL2203522 0.75 SMYD3 (0.59) PKMIDO1SMYD3MAPTTDP1
SCHEMBL6602558 0.75 GAA (0.57) PKMIDO1SMYD3MAPTTDP1

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