SCHEMBL2637249

SCHEMBL2637249

O=C(Nc1ccon1)c1c(=O)[nH]n2c(=O)cc(-c3cccc(Cl)c3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.39
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 2/20 0.36
LMNA P02545 1/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LDHA P00338 1/20 0.36

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
SCHEMBL2640983 0.89 ALDH1A1 (0.47) SMN1; SMN2TSHRMEN1KMT2AALDH1A1
SCHEMBL2637260 0.85 CNR2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1KDM4A
SCHEMBL2637450 0.85 MEN1 (0.38) MEN1KMT2AKDM4AKDM5AKDM4C
SCHEMBL2637207 0.83 CNR2 (0.45) MEN1KMT2AALDH1A1KDM4AKDM5A
SCHEMBL2637531 0.83 NPC1 (0.44) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL2637763 0.83 ALDH1A1 (0.51) SMN1; SMN2TSHRMEN1KMT2AALDH1A1
SCHEMBL2637448 0.81 NPC1 (0.46) MEN1KMT2AKDM4AKDM5AKDM4C
SCHEMBL2637493 0.80 NHERF1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1NPC1
SCHEMBL2637533 0.80 MAPT (0.50) TSHRMEN1KMT2ALMNA
SCHEMBL2637188 0.80 MGAM (0.50) SMN1; SMN2MEN1KMT2AALDH1A1KDM4A

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