SCHEMBL12835680

SCHEMBL12835680

COc1ccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 6/20 0.53
CTSK P43235 2/20 0.51
PIM1 P11309 1/20 0.47
PIM3 Q86V86 1/20 0.47
PIM2 Q9P1W9 1/20 0.47
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
ACACB O00763 2/20 0.46
RET P07949 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 2/20 0.45
HSD17B10 Q99714 2/20 0.45
KDM4E B2RXH2 1/20 0.45
KDM4D Q6B0I6 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL12836348 0.89 HRH2 (0.50) SUV39H2CTSKACACBRETMEN1
SCHEMBL12836076 0.88 BTK (0.53) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL12835665 0.88 CTSK (0.53) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL12836173 0.87 HRH2 (0.45) SUV39H2CTSKACACBALDH1A1HPGD
SCHEMBL12836043 0.87 CTSK (0.52) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL31318667 0.86 SUV39H2 (0.51) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL12835985 0.85 SUV39H2 (0.53) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL12836025 0.85 CTSK (0.50) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL12836009 0.84 PIM1 (0.50) SUV39H2CTSKPIM1PIM3PIM2
SCHEMBL12835989 0.84 PIM1 (0.58) SUV39H2CTSKPIM1PIM3PIM2

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-2011025799-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2011-03-03 WO disclosed