SCHEMBL6387372

SCHEMBL6387372

CC(C)(C)OC(=O)NCCN(Cc1cn[nH]c1NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.42
SKP1 P63208 2/20 0.42
SKP2 Q13309 2/20 0.42
SIGMAR1 Q99720 3/20 0.36
BCHE P06276 1/20 0.35
IDO1 P14902 2/20 0.34
MALT1 Q9UDY8 1/20 0.34
PARP1 P09874 1/20 0.34
GABRA5 P31644 1/20 0.33
DRD2 P14416 2/20 0.32
AKT1 P31749 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
KCNA5 P22460 1/20 0.32
CYP3A4 P08684 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32

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
SCHEMBL6557087 0.82 SIGMAR1 (0.42) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL6557081 0.81 NPSR1 (0.43) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL6385864 0.80 BCHE (0.40) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL5497823 0.79 SIGMAR1 (0.43) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL6387369 0.75 CKS1B (0.39) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL6559029 0.74 SIGMAR1 (0.37) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL5492726 0.70 CKS1B (0.41) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL22833183 0.67 CTSL (0.54) CKS1BSKP1SKP2SIGMAR1IDO1
SCHEMBL6385861 0.67 BCHE (0.40) CKS1BSKP1SKP2SIGMAR1BCHE
SCHEMBL31505697 0.67 MALT1 (0.51) CKS1BSKP1SKP2SIGMAR1BCHE

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-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed