SCHEMBL104734

SCHEMBL104734

C[Si](C)(C)C#CCCc1nc2ccccc2n1C(I)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.38
RECQL P46063 1/20 0.38
PKM P14618 1/20 0.38
POLB P06746 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC6 Q9UBN7 1/20 0.36
ALOX5AP P20292 1/20 0.35
CYP2D6 P10635 1/20 0.35
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL102461 0.82 POLB (0.51) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL105355 0.77 LMNA (0.65) MEN1KMT2ALMNAMAPTRECQL
SCHEMBL102269 0.77 MEN1 (0.58) MEN1KMT2ALMNAMAPTPKM
SCHEMBL102133 0.75 MAPT (0.54) LMNAMAPTRECQLPKMPOLB
SCHEMBL103022 0.65 POLB (0.49) MEN1KMT2ALMNAPOLBL3MBTL1
SCHEMBL4203901 0.65 MEN1 (0.51) MEN1KMT2ALMNAMAPTRECQL
SCHEMBL102294 0.65 POLB (0.55) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL9570011 0.62 POLB (0.58) MEN1KMT2ALMNAPOLBL3MBTL1
SCHEMBL3678249 0.62 GRM5 (0.55) MEN1KMT2AL3MBTL1
SCHEMBL103864 0.61 PSMB8 (0.48) MAPTHDAC6TP53SMN1; SMN2

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
EP-2426115-A2 Alkynyl derivatives as modulators of metabotropic glutamate receptors Addex Pharma SA (CH) 2012-03-07 EP disclosed