SCHEMBL8310752

SCHEMBL8310752

O=[N+]([O-])c1ccc(Cc2ccnc(-c3nc(-c4ccccn4)cs3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.50
L3MBTL1 Q9Y468 6/20 0.48
CYP19A1 P11511 2/20 0.46
MAPT P10636 8/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 6/20 0.43
RAB9A P51151 5/20 0.43
MITF O75030 1/20 0.43
MCL1 Q07820 1/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.42
GFER P55789 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
CYP1A2 P05177 3/20 0.40
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40

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
SCHEMBL8314849 0.75 NPC1 (0.52) ADORA3L3MBTL1CYP19A1MAPTPOLB
Hydrochloric Acid SCHEMBL8314513 0.75 MAPT (0.39) ADORA3L3MBTL1MAPTPOLBRAB9A
SCHEMBL8315365 0.73 MAPT (0.39) ADORA3L3MBTL1MAPTPOLBRAB9A
SCHEMBL5019617 0.72 CYP19A1 (0.42) CYP19A1MAPTPOLBKDM4ERAB9A
SCHEMBL9078662 0.71 PTPRF (0.38) ADORA3L3MBTL1MAPTRAB9AKMT2A
SCHEMBL1741719 0.71 CYP19A1 (0.79) ADORA3L3MBTL1CYP19A1MAPTPOLB
SCHEMBL11045904 0.70 POLB (0.67) L3MBTL1CYP19A1MAPTPOLBKDM4E
SCHEMBL8315695 0.69 CYP19A1 (0.62) ADORA3L3MBTL1CYP19A1MAPTKDM4E
SCHEMBL16581340 0.68 ABL1 (0.53) ADORA3L3MBTL1MAPTKDM4ERAB9A
SCHEMBL12727962 0.68 POLB (0.63) L3MBTL1MAPTPOLBKDM4ERAB9A

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