SCHEMBL1006096

SCHEMBL1006096

Nc1nc2ccccc2c2c(OCc3ccccc3)ccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 2/20 0.54
ADORA1 P30542 2/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
LTA4H P09960 1/20 0.49
MAPK14 Q16539 1/20 0.49
MPO P05164 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
PDE5A O76074 1/20 0.42
STAT3 P40763 1/20 0.42
HTT P42858 1/20 0.42
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ELANE P08246 1/20 0.41

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
SCHEMBL1703691 0.82 TLR8 (0.54) CYP1A2TLR7
SCHEMBL9431635 0.75 PLAU (0.50) DCPSLTA4HMAPK14SMN1; SMN2PDE5A
SCHEMBL6537540 0.74 PLAU (0.51) DCPSADORA1ADORA3ADORA2ALTA4H
SCHEMBL1010420 0.74 LMNA (0.44) DCPSADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL1007693 0.74 TLR7 (0.49) DCPSADORA1ADORA3ADORA2ASMN1; SMN2
SCHEMBL1924839 0.74 TLR7 (0.48) ADORA2ATLR7
SCHEMBL1006095 0.73 ADORA1 (0.49) DCPSADORA1ADORA3ADORA2ALTA4H
SCHEMBL4990365 0.73 SLC40A1 (0.50) LTA4HMAPK14MPOSMN1; SMN2STAT3
SCHEMBL2400921 0.72 DCPS (0.60) DCPSADORA1ADORA3ADORA2ALTA4H
SCHEMBL1486448 0.72 DCPS (0.60) DCPSADORA1ADORA3ADORA2ALTA4H

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011130379-A1 BENZONAPTHYRIDINE COMPOSITIONS AND USES THEREOF NOVARTIS AG (CH) 2011-10-20 WO disclosed
EP-2268618-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2011-01-05 EP disclosed
WO-2009111337-A1 COMPOUNDS AND COMPOSITIONS AS TLR ACTIVITY MODULATORS IRM LLC (BM) 2009-09-11 WO disclosed