SCHEMBL2637592

SCHEMBL2637592

O=C(O)c1cccc(NC(=O)c2c(=O)[nH]n3c(=O)cc(-c4ccccc4)[nH]c23)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CREBBP Q92793 2/20 0.44
NR1H4 Q96RI1 6/20 0.43
EGFR P00533 1/20 0.42
SRC P12931 1/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MIF P14174 1/20 0.42
HPSE Q9Y251 1/20 0.41

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
SCHEMBL2637448 0.91 NPC1 (0.46) MEN1KMT2ACREBBPNR1H4NPC1
SCHEMBL2638043 0.90 MAPK10 (0.45) MEN1KMT2ANPC1RAB9A
SCHEMBL2637918 0.89 KMT2A (0.41) MEN1KMT2AEGFRSRCALDH1A1
SCHEMBL2637204 0.86 NPC1 (0.43) MEN1KMT2ANR1H4EGFRALDH1A1
SCHEMBL2637207 0.83 CNR2 (0.45) MEN1KMT2AEGFRALDH1A1NPC1
SCHEMBL2637520 0.82 DHODH (0.45) MEN1KMT2AEGFRSRCNPC1
SCHEMBL2637246 0.81 MAPK10 (0.41) MEN1KMT2AEGFRRAB9A
SCHEMBL2637350 0.81 ERCC1 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2640983 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL2637908 0.78 NPC1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A

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