SCHEMBL2637448

SCHEMBL2637448

O=C(O)c1cccc(NC(=O)c2c(=O)[nH]n3c(=O)cc(-c4cccc(Cl)c4)[nH]c23)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GFER P55789 1/20 0.45
KDM4A O75164 1/20 0.45
KDM5A P29375 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
NHERF1 O14745 2/20 0.45
GSK3B P49841 1/20 0.45
MALT1 Q9UDY8 1/20 0.45
KCNK3 O14649 1/20 0.41
KCNK9 Q9NPC2 1/20 0.41
CREBBP Q92793 2/20 0.41
PPARG P37231 2/20 0.39
NR1H4 Q96RI1 2/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2637592 0.91 MEN1 (0.45) NPC1RAB9AMEN1KMT2ACREBBP
SCHEMBL2637207 0.91 CNR2 (0.45) NPC1RAB9AMEN1KMT2AKDM4A
SCHEMBL2637493 0.86 NHERF1 (0.46) NPC1RAB9AMEN1KMT2ANHERF1
SCHEMBL2637533 0.84 MAPT (0.50) MEN1KMT2APOLB
SCHEMBL2637246 0.83 MAPK10 (0.41) RAB9AMEN1KMT2AMALT1PSD
SCHEMBL2637737 0.82 NPC1 (0.43) NPC1RAB9A
SCHEMBL2638043 0.81 MAPK10 (0.45) NPC1RAB9AMEN1KMT2A
SCHEMBL2637249 0.81 SMN1; SMN2 (0.50) NPC1RAB9AMEN1KMT2AKDM4A
SCHEMBL2637918 0.81 KMT2A (0.41) NPC1RAB9AMEN1KMT2ASENP8
SCHEMBL2637430 0.81 NPC1 (0.48) NPC1RAB9AMEN1KMT2AKDM4A

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