SCHEMBL23130552

SCHEMBL23130552

CN(C)c1nc(N)nc(Nc2cccc(N)c2)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
IDH2 P48735 1/20 0.55
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
GAA P10253 3/20 0.46
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NOD1 Q9Y239 1/20 0.46
SYK P43405 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
TERT O14746 2/20 0.44
CA1 P00915 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
SCHEMBL8764498 0.92 IDH2 (0.62) ALDH1A1IDH2LMNAMAPTGAA
SCHEMBL30925067 0.92 IDH2 (0.62) ALDH1A1IDH2LMNAMAPTGAA
SCHEMBL30562909 0.92 IDH2 (0.62) ALDH1A1IDH2LMNAMAPTGAA
SCHEMBL2453133 0.87 RAB9A (0.61) ALDH1A1IDH2LMNAMAPTPOLB
SCHEMBL14869865 0.86 KMT2A (0.56) ALDH1A1IDH2MAPTGAAPOLB
SCHEMBL15841812 0.86 ALDH1A1 (0.53) ALDH1A1IDH2LMNAMAPTGAA
SCHEMBL2456892 0.86 ALDH1A1 (0.53) ALDH1A1IDH2LMNAMAPTPOLB
SCHEMBL23130551 0.85 CFTR (0.50) ALDH1A1LMNAMAPTGAAPOLB
SCHEMBL14869409 0.84 ALDH1A1 (0.77) ALDH1A1IDH2MAPTGAAMEN1
SCHEMBL23130650 0.84 MAPT (0.57) LMNAMAPTGAAPOLBMEN1

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
US-20210384524-A1 ELECTROCHEMICAL OXYGEN REDUCTION CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2021-12-09 US disclosed
EP-3796440-A1 ELECTROCHEMICAL OXYGEN REDUCTION CATALYST NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2021-03-24 EP disclosed