SCHEMBL17895778

SCHEMBL17895778

CC(C)(C)[Si](C)(C)OCCn1ncc2c1CCCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.47
CSNK2A1 P68400 1/20 0.47
PLK3 Q9H4B4 1/20 0.47
ELANE P08246 3/20 0.37
HTT P42858 1/20 0.37
DUT P33316 2/20 0.36
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA9 Q16790 3/20 0.33
BUB1 O43683 1/20 0.32
GPR52 Q9Y2T5 1/20 0.30

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
SCHEMBL3536391 0.97 PLK1 (0.50) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL17895883 0.93 PLK1 (0.45) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL20557386 0.75 ELANE (0.35) ELANEDUTBUB1
SCHEMBL9149384 0.74 PLK1 (0.63) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL17895891 0.73 PLK1 (0.57) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL3533622 0.73 DUT (0.30) DUT
SCHEMBL3537808 0.73 NPC1 (0.30) DUT
SCHEMBL3531363 0.71 PLK1 (0.58) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL9142953 0.70 PLK1 (0.62) PLK1CSNK2A1PLK3ELANEHTT
SCHEMBL21003834 0.69 PLK1 (0.49) PLK1CSNK2A1PLK3ELANEHTT

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-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 WO disclosed