SCHEMBL2637515

SCHEMBL2637515

O=C(NCCc1ccccc1)c1c(=O)[nH]n2c(=O)cc(-c3ccccc3)[nH]c12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.49
NPC1 O15118 3/20 0.49
MEN1 O00255 1/20 0.49
PKM P14618 1/20 0.49
KMT2A Q03164 1/20 0.49
PDE2A O00408 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
USP2 O75604 1/20 0.42
TAAR1 Q96RJ0 3/20 0.41
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
FAAH O00519 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 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
SCHEMBL2637516 0.89 MEN1 (0.48) NPC1MEN1KMT2APDE2AKDM4E
SCHEMBL2637180 0.89 CGAS (0.46) RAB9ANPC1MEN1PKMKMT2A
SCHEMBL2638043 0.81 MAPK10 (0.45) RAB9ANPC1MEN1KMT2A
SCHEMBL2637666 0.81 POLB (0.43) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL2637350 0.80 ERCC1 (0.48) RAB9ANPC1MEN1PKMKMT2A
SCHEMBL2637520 0.77 DHODH (0.45) RAB9ANPC1MEN1PKMKMT2A
SCHEMBL2637918 0.76 KMT2A (0.41) RAB9ANPC1MEN1PKMKMT2A
SCHEMBL2637908 0.75 NPC1 (0.45) RAB9ANPC1MEN1KMT2AL3MBTL1
SCHEMBL2637592 0.74 MEN1 (0.45) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL2637445 0.74 NPC1 (0.38) RAB9ANPC1MEN1PKMKMT2A

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 2 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 disclosed
WO-2010139483-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed