SCHEMBL8314849

SCHEMBL8314849

O=[N+]([O-])c1ccc(Cc2ccnc(-c3n[nH]c(-c4ccccn4)n3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
ALPL P05186 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 6/20 0.47
KDM4E B2RXH2 3/20 0.47
METAP1 P53582 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.44
NOTUM Q6P988 1/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 1/20 0.42
CYP19A1 P11511 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL8524721 0.79 L3MBTL1 (0.46) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL8310752 0.75 ADORA3 (0.50) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
SCHEMBL5019617 0.75 CYP19A1 (0.42) NPC1RAB9ASMN1; SMN2MAPTKDM4E
SCHEMBL6452160 0.73 RAB9A (0.62) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL6452828 0.73 NPC1 (0.52) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL8311588 0.71 SMN1; SMN2 (1.00) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL8526088 0.71 NPC1 (0.49) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL
SCHEMBL11045904 0.69 POLB (0.67) RAB9ASMN1; SMN2L3MBTL1TDP1MAPT
SCHEMBL8524726 0.69 KMT2A (0.53) NPC1RAB9ASMN1; SMN2L3MBTL1PKM
SCHEMBL31565162 0.68 SMN1; SMN2 (0.81) NPC1RAB9ASMN1; SMN2L3MBTL1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626068-B1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1999-05-06 EP disclosed
US-5571897-A Luminescent lanthanide chelates WALLAC OY (FI) 1996-11-05 US disclosed
EP-0626068-A1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1994-11-30 EP disclosed
WO-1993011433-A1 LUMINESCENT LANTHANIDE CHELATES WALLAC OY (FI) 1993-06-10 WO disclosed