SCHEMBL28114836

SCHEMBL28114836

CC(C)(C)C(=O)OCC1(CC#N)CCNCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL28000343 0.80 SMN1; SMN2 (0.33) PRKCASMN1; SMN2
SCHEMBL28232892 0.79 PRKCA (0.33) PRKCASMN1; SMN2
SCHEMBL27830224 0.76 OPRM1 (0.30)
SCHEMBL27721987 0.74 SMN1; SMN2 (0.37) PRKCAKMT2ASMN1; SMN2
SCHEMBL28283764 0.73 SMN1; SMN2 (0.34) PRKCAKMT2ASMN1; SMN2
SCHEMBL27778608 0.73 SMN1; SMN2 (0.34) PRKCAKMT2ASMN1; SMN2
SCHEMBL27783464 0.72 PRKCA (0.38) PRKCASMN1; SMN2
SCHEMBL27776772 0.72 SMN1; SMN2 (0.33) PRKCASMN1; SMN2
SCHEMBL5645134 0.71 ALDH1A1 (0.33) PRKCASMN1; SMN2
SCHEMBL25382114 0.70 JAK2 (0.33)

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
CN-106164066-A Cyclopropylamines as lsd1 inhibitors 因赛特公司 2016-11-23 CN disclosed