SCHEMBL989442

SCHEMBL989442

Nc1ccc(C(=O)Nc2ccc(C(=O)N[C@@H]3CCC[C@](O)(C#Cc4cccc(Cl)c4)C3)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
XBP1 P17861 1/20 0.43
GRM5 P41594 7/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IDO1 P14902 1/20 0.40
HTR2B P41595 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRMT1 Q99873 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
HSD11B1 P28845 1/20 0.37

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
SCHEMBL992266 0.95 L3MBTL1 (0.46) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL2818567 0.86 L3MBTL1 (0.47) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990869 0.85 GRM5 (0.48) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990340 0.85 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990083 0.85 L3MBTL1 (0.47) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990807 0.84 GRM5 (0.52) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL3284072 0.83 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL990125 0.83 GRM5 (0.57) GRM5L3MBTL1NPC1RAB9A
SCHEMBL991458 0.83 L3MBTL1 (0.45) KDM4EXBP1GRM5L3MBTL1NPC1
SCHEMBL3432735 0.83 L3MBTL1 (0.45) KDM4EXBP1GRM5L3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011137206-A1 PREDICTIVE MARKERS USEFUL IN THE TREATMENT OF FRAGILE X SYNDROME (FXS) NOVARTIS AG (CH) 2011-11-03 WO disclosed
EP-2320892-A2 COMBINATION PRODUCTS Novartis AG (CH) 2011-05-18 EP disclosed
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed