SCHEMBL5038700

SCHEMBL5038700

N#Cc1ccc2c3ccccc3c3nnnnc3c2c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
AR P10275 1/20 0.33
IMPDH2 P12268 2/20 0.33
IMPDH1 P20839 2/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
PTGES O14684 1/20 0.32
JAK2 O60674 1/20 0.32
TBXAS1 P24557 1/20 0.32
ANPEP P15144 1/20 0.32
DYRK1A Q13627 1/20 0.31
CA1 P00915 1/20 0.30

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
SCHEMBL31261583 0.80 KDM4E (0.46) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL2172840 0.76 ALDH1A1 (0.41) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL2680851 0.71 ALDH1A1 (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL4472112 0.67 SMN1; SMN2 (0.33) KDM4EALDH1A1SMN1; SMN2HIF1A
SCHEMBL12310191 0.67 AR (0.41) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL5045268 0.66 ALDH1A1 (0.39) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL28241231 0.66 ANPEP (0.56) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL8828836 0.66 ANPEP (0.56) KDM4EALDH1A1GAAMAPTMEN1
SCHEMBL15416067 0.66 GABRP (0.38) KDM4EALDH1A1MAPTHIF1ANCOA3
SCHEMBL13483957 0.66 KDM4E (0.40) KDM4EALDH1A1GAAMAPTMEN1

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
EP-1019401-B1 COMPLEX COMPRISING A RARE-EARTH METAL ION AND A COMPLEXING MOIETY KONINKL PHILIPS ELECTRONICS NV (NL) 2008-01-16 EP disclosed