SCHEMBL2637430

SCHEMBL2637430

O=C(Nc1ccc2ncccc2c1)c1c(=O)[nH]n2c(=O)cc(-c3cccc(Cl)c3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.48
RAB9A P51151 6/20 0.48
HTT P42858 1/20 0.48
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PABPC1 P11940 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
MAT2A P31153 1/20 0.39
TGFBR1 P36897 1/20 0.38
TGFBR2 P37173 1/20 0.38
GRM4 Q14833 1/20 0.38
PARP1 P09874 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL2637403 0.84 MEN1 (0.47) NPC1HTTMEN1KMT2APABPC1
SCHEMBL2637655 0.83 NPC1 (0.42) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2637533 0.83 MAPT (0.50) MEN1KMT2APOLBMAPT
SCHEMBL2637737 0.83 NPC1 (0.43) NPC1RAB9AMAPT
SCHEMBL2637207 0.83 CNR2 (0.45) NPC1RAB9AHTTMEN1KMT2A
SCHEMBL2637260 0.82 CNR2 (0.50) NPC1RAB9AMEN1KMT2AGRM4
SCHEMBL2637448 0.81 NPC1 (0.46) NPC1RAB9AMEN1KMT2ASENP8
SCHEMBL2637531 0.80 NPC1 (0.44) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2637493 0.80 NHERF1 (0.46) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL2637188 0.79 MGAM (0.50) NPC1RAB9AMEN1KMT2AMAPT

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