SCHEMBL6661030

SCHEMBL6661030

CN(C)Cc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLS O94925 6/20 0.52
KDM4A O75164 1/20 0.46
BRD4 O60885 3/20 0.46
CREBBP Q92793 1/20 0.45
BRD9 Q9H8M2 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
BAZ2A Q9UIF9 1/20 0.44
AKT1 P31749 2/20 0.44
NAMPT P43490 2/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.42
CYP3A4 P08684 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
SCHEMBL851272 0.86 GLS (0.55) GLSKDM4ABRD4CREBBPAKT1
SCHEMBL30192965 0.86 GLS (0.55) GLSKDM4ABRD4CREBBPAKT1
SCHEMBL23775214 0.85 LSS (0.52) KDM4AAKT1NAMPTCA12CA1
SCHEMBL30069429 0.84 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL13981921 0.84 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL1165088 0.84 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL8342682 0.84 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL16181822 0.84 GLS (0.55) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL3507603 0.83 GLS (0.49) GLSKDM4ABRD4CREBBPBRD9
SCHEMBL5102152 0.83 GLS (0.54) GLSKDM4ABRD4CREBBPBRD9

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-1435933-A1 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003032970-A1 5'-CARBAMOYL-2'-METHYL-1,1'-BIPHENYL-4-CARBOXAMIDE DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed