SCHEMBL17486142

SCHEMBL17486142

Oc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
POLB P06746 1/20 0.41
ALDH1A1 P00352 3/20 0.39
GPR3 P46089 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
DUSP3 P51452 1/20 0.37
BACE1 P56817 2/20 0.35
MAPT P10636 4/20 0.35
AGER Q15109 1/20 0.35
HTT P42858 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 2/20 0.34
MEN1 O00255 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1303181 0.89 KDM4E (0.54) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL29389255 0.89 KDM4E (0.54) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL24609436 0.85 KDM4E (0.50) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL29623840 0.79 KDM4E (0.45) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL24522165 0.79 KDM4E (0.45) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL19849289 0.79 KDM4E (0.45) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL23373491 0.79 KDM4E (0.45) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL17051451 0.79 KDM4E (0.45) KDM4EL3MBTL1ATMPOLBGPR3
SCHEMBL31650776 0.79 KDM4E (0.45) KDM4EL3MBTL1ATMPOLBALDH1A1
SCHEMBL11892606 0.79 KDM4E (0.45) KDM4EL3MBTL1ATMPOLBALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016015815-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-02-04 WO disclosed