SCHEMBL14966587

SCHEMBL14966587

CC(C)(C)OC(=O)NCCN(CCc1cc(F)c(Br)cc1F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.41
PARP1 P09874 1/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
IDO1 P14902 4/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 5/20 0.34
CA1 P00915 5/20 0.34
CA2 P00918 5/20 0.34
CA9 Q16790 5/20 0.34
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.33
SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL29707372 0.85 AAK1 (0.47) AAK1IDO1NQO2MEN1GAA
SCHEMBL14966705 0.78 SYK (0.41) AAK1PARP1CKS1BSKP1SKP2
SCHEMBL25574990 0.77 AAK1 (0.49) AAK1IDO1CA12CA1CA2
SCHEMBL14966586 0.76 AAK1 (0.45) AAK1PARP1CKS1BSKP1SKP2
SCHEMBL19244825 0.75 LMNA (0.47) CKS1BSKP1SKP2IDO1NQO2
SCHEMBL18342083 0.73 MEN1 (0.46) CKS1BSKP1SKP2IDO1MEN1
SCHEMBL21710422 0.72 AAK1 (0.46) AAK1IDO1MEN1GAAKMT2A
SCHEMBL20500778 0.71 TDP1 (0.54) CKS1BSKP1SKP2IDO1MEN1
SCHEMBL22664847 0.70 AAK1 (0.45) AAK1IDO1NQO2CA12CA1
SCHEMBL29533276 0.70 AAK1 (0.45) AAK1IDO1NQO2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013074641-A1 PIPERIDINYL- SUBSTITUTED CYCLIC UREAS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2013-05-23 WO disclosed