SCHEMBL807919

SCHEMBL807919

Nc1nc(Nc2ccccc2)nc(-c2noc(-c3ccc(OCCF)nc3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX5AP P20292 1/20 0.38
HTT P42858 2/20 0.37
GABRA5 P31644 1/20 0.37
S1PR1 P21453 7/20 0.37
BLM P54132 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL795269 0.90 EPHX2 (0.39) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL795752 0.87 KMT2A (0.43) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL796276 0.78 NPC1 (0.37) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL795333 0.77 PIK3CA (0.41) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL807929 0.77 ACHE (0.40) GABRA5S1PR1ACHE
SCHEMBL795379 0.77 ALOX5AP (0.46) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL795751 0.76 L3MBTL1 (0.45) KMT2AALDH1A1MEN1GABRA5S1PR1
SCHEMBL15477140 0.75 CHRNA7 (0.38) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL796172 0.75 KMT2A (0.39) MAPTNPC1RAB9AKMT2AALDH1A1
SCHEMBL796285 0.75 MAPT (0.36) MAPTNPC1RAB9AKMT2AALDH1A1

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-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed