SCHEMBL2638320

SCHEMBL2638320

O=C(Nc1cccc2[nH]ccc12)c1c(=O)[nH]n2c(=O)cc(-c3cccc(Cl)c3)[nH]c12

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DHPS P49366 8/20 0.46
PARP1 P09874 2/20 0.39
TRPV1 Q8NER1 1/20 0.36
GOT1 P17174 2/20 0.36
MAPK1 P28482 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
FTO Q9C0B1 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
FBP1 P09467 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
SCHEMBL2637737 0.83 NPC1 (0.43) NPC1RAB9A
SCHEMBL2637403 0.82 MEN1 (0.47) MEN1NPC1KMT2A
SCHEMBL2637207 0.81 CNR2 (0.45) MAPK1MEN1NPC1RAB9AKMT2A
SCHEMBL2637450 0.79 MEN1 (0.38) MAPK1MEN1NPC1RAB9AKMT2A
SCHEMBL2637827 0.79 NPC1 (0.54) MEN1NPC1RAB9AKMT2A
SCHEMBL2637506 0.78 MEN1 (0.40) JAK2MEN1NPC1RAB9AKMT2A
SCHEMBL2637249 0.77 SMN1; SMN2 (0.50) MAPK1MEN1NPC1RAB9AKMT2A
SCHEMBL2637260 0.77 CNR2 (0.50) JAK2JAK1TYK2MEN1NPC1
SCHEMBL2637448 0.77 NPC1 (0.46) MEN1NPC1RAB9AKMT2A
SCHEMBL2637533 0.76 MAPT (0.50) MEN1KMT2A

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