SCHEMBL2637403

SCHEMBL2637403

O=C(Nc1cccc2ncccc12)c1c(=O)[nH]n2c(=O)cc(-c3cccc(Cl)c3)[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
PABPC1 P11940 2/20 0.47
EIF4H Q15056 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CLK1 P49759 2/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL2637430 0.84 NPC1 (0.48) MEN1KMT2APABPC1MAPTNPC1
SCHEMBL2637260 0.83 CNR2 (0.50) MEN1KMT2ANPC1HDAC6ALDH1A1
SCHEMBL2638320 0.82 DHPS (0.46) MEN1KMT2ANPC1
SCHEMBL2637533 0.80 MAPT (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL2637506 0.80 MEN1 (0.40) MEN1KMT2ANPC1CYP3A4
SCHEMBL2637188 0.80 MGAM (0.50) MEN1KMT2AL3MBTL1MAPTNPC1
SCHEMBL2637207 0.80 CNR2 (0.45) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL2637531 0.79 NPC1 (0.44) MEN1KMT2ANPC1CYP3A4SMN1; SMN2
SCHEMBL2637655 0.79 NPC1 (0.42) MEN1KMT2AMAPTNPC1NPSR1
SCHEMBL2637827 0.79 NPC1 (0.54) MEN1KMT2AMAPTNPC1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438070-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139483-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed
EP-2438070-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139483-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed