SCHEMBL6276708

SCHEMBL6276708

Nc1ccccc1-c1nc2ccccc2nc1-c1ccccc1N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.60
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 8/20 0.55
L3MBTL1 Q9Y468 5/20 0.55
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
AHR P35869 1/20 0.54
KDM4E B2RXH2 4/20 0.50
GAA P10253 4/20 0.50
HSD17B10 Q99714 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
HPGD P15428 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
GLA P06280 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
CACNA1B Q00975 1/20 0.50

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
SCHEMBL2489961 0.82 MAPT (0.73) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL1385580 0.77 NPC1 (0.47) ADORA2ANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL14929703 0.77 ADORA2A (0.60) ADORA2ANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL20595367 0.76 ADORA2A (0.59) ADORA2ANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL19448867 0.74 RAB9A (1.00) NPC1RAB9AALDH1A1MAPTSMN1; SMN2
SCHEMBL6291686 0.73 NPC1 (0.53) ADORA2ANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL9755100 0.73 MAPT (0.71) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL15197893 0.73 MAPT (0.71) NPC1RAB9AALDH1A1L3MBTL1MAPT
SCHEMBL169281 0.73 ALDH1A1 (1.00) ADORA2ANPC1RAB9AALDH1A1L3MBTL1
SCHEMBL31607672 0.73 ALDH1A1 (1.00) ADORA2ANPC1RAB9AALDH1A1L3MBTL1

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
JP-2005314624-A HIGH-STRENGTH EPOXY RESIN CHIBA UNIV 2005-11-10 JP disclosed