SCHEMBL28164686

SCHEMBL28164686

COc1ccc(Nc2nc[nH]n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
GAA P10253 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 2/20 0.55
THRB P10828 1/20 0.55
RECQL P46063 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
PDE4B Q07343 1/20 0.51
PDE4D Q08499 1/20 0.51
HTT P42858 2/20 0.50
AURKA O14965 1/20 0.49

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
SCHEMBL18856847 0.77 ADRA2A (0.44) MAPTRAB9ANPC1RECQLMEN1
SCHEMBL2297554 0.77 LMNA (0.50) MAPTRAB9ANPC1GAAL3MBTL1
SCHEMBL11812041 0.77 MAPT (0.81) MAPTRAB9ANPC1GAAL3MBTL1
SCHEMBL1121223 0.76 RAB9A (0.67) MAPTRAB9ANPC1GAAL3MBTL1
SCHEMBL8443603 0.74 SYK (0.48) KDM4EMEN1KMT2AAURKASYK
SCHEMBL1459772 0.73 MAPT (1.00) MAPTRAB9ANPC1GAAL3MBTL1
SCHEMBL39057 0.73 MAPT (1.00) MAPTRAB9ANPC1GAAL3MBTL1
SCHEMBL11461135 0.71 HDAC3 (0.63) MAPTRAB9ANPC1GAAL3MBTL1
SCHEMBL22191045 0.71 HDAC3 (0.59) MAPTRAB9ANPC1GAAL3MBTL1
SCHEMBL2495024 0.71 NR4A1 (0.61) MAPTRAB9ANPC1GAAL3MBTL1

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
CN-104428289-B As the triazole compounds of antivirotic 弗·哈夫曼-拉罗切有限公司 2017-06-23 CN claimed