SCHEMBL2714092

SCHEMBL2714092

O=c1ncccc2ncccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
KDM4E B2RXH2 1/20 0.61
POLB P06746 1/20 0.50
CYP3A4 P08684 2/20 0.48
NCOA1 Q15788 2/20 0.47
LMNA P02545 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BLM P54132 2/20 0.47
HIF1A Q16665 2/20 0.47
HTT P42858 2/20 0.47
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NCF1 P14598 1/20 0.45
ERN1 O75460 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1014702 0.91 NCF1 (0.50) MAPTKDM4EPOLBCYP3A4ALDH1A1
SCHEMBL1248587 0.79 MAPT (0.58) MAPTKDM4EPOLBCYP3A4NCOA1
SCHEMBL13859959 0.78 MAPT (0.71) MAPTKDM4EPOLBCYP3A4NCOA1
SCHEMBL217044 0.76 MAPT (1.00) MAPTKDM4EPOLBCYP3A4NCOA1
SCHEMBL2877514 0.76 CYP3A4 (0.54) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL30183455 0.76 CYP3A4 (0.54) MAPTKDM4ECYP3A4LMNAHIF1A
SCHEMBL11299370 0.76 KDM4E (0.42) MAPTKDM4ELMNAMEN1KMT2A
SCHEMBL276609 0.74 MAPT (0.58) MAPTKDM4EPOLBCYP3A4NCOA1
SCHEMBL428159 0.74 MAPT (0.58) MAPTKDM4EPOLBCYP3A4LMNA
SCHEMBL29662059 0.74 MAPT (0.58) MAPTKDM4EPOLBCYP3A4LMNA

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
WO-2012052451-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-04-26 WO claimed
WO-2012052451-A1 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS MERZ PHARMA GMBH & CO. KGAA (DE) 2012-04-26 WO disclosed