SCHEMBL3398136

SCHEMBL3398136

Nc1nncc(-c2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.54
GAA P10253 3/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
MGAM O43451 1/20 0.53
SI P14410 1/20 0.53
MGAM2 Q2M2H8 1/20 0.53
MAPT P10636 2/20 0.51
MAOB P27338 2/20 0.51
MAOA P21397 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
ENPP3 O14638 1/20 0.50
ENPP1 P22413 1/20 0.50
PTGS1 P23219 3/20 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
SCHEMBL3397491 0.85 BACE1 (0.57) MAPTMAOBMAOAPTGS1PTGS2
SCHEMBL22139476 0.81 PTGS1 (0.67) XDHGAARAB9ASMN1; SMN2MEN1
SCHEMBL3399237 0.78 ADORA2A (0.68) GAARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL2325695 0.78 ADORA2A (0.67) GAARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL31009002 0.78 ADORA2A (0.67) GAARAB9ASMN1; SMN2MEN1NPC1
SCHEMBL3399437 0.78 BRD4 (0.51) MAPTMAOBL3MBTL1
SCHEMBL13426272 0.77 RAB9A (0.56) XDHGAARAB9ASMN1; SMN2MEN1
SCHEMBL2320526 0.77 ADORA2A (0.57) RAB9AMEN1NPC1KMT2AMAPT
SCHEMBL979490 0.76 CSNK1A1 (0.61) XDHGAARAB9ASMN1; SMN2MEN1
SCHEMBL12292523 0.76 XDH (0.52) XDHGAARAB9ASMN1; SMN2MEN1

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-2010046780-A2 ANTI VIRAL COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2010-04-29 WO disclosed