SCHEMBL2637516

SCHEMBL2637516

O=C(NCc1ccccc1)c1c(=O)[nH]n2c(=O)cc(-c3ccccc3)[nH]c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PIM1 P11309 2/20 0.44
ROCK2 O75116 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TSHR P16473 1/20 0.42
PLAT P00750 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
EGFR P00533 2/20 0.41
SRC P12931 1/20 0.41
CDC7 O00311 1/20 0.41
MAP4K4 O95819 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 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
SCHEMBL2637666 0.91 POLB (0.43) MEN1KMT2ARXFP1PIM1ROCK2
SCHEMBL2637515 0.89 RAB9A (0.49) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2637180 0.86 CGAS (0.46) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2638043 0.82 MAPK10 (0.45) MEN1KMT2AADORA2AADORA2BNPC1
SCHEMBL2637350 0.81 ERCC1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL2637204 0.81 NPC1 (0.43) MEN1KMT2AALDH1A1EGFRNPC1
SCHEMBL2637520 0.79 DHODH (0.45) MEN1KMT2AKDM4EEGFRSRC
SCHEMBL2637918 0.78 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL2637908 0.77 NPC1 (0.45) MEN1KMT2AALDH1A1KDM4EADORA2A
SCHEMBL2640983 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EHPGD

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