SCHEMBL8819870

SCHEMBL8819870

c1ccc(-c2nnc(-c3ccc(Oc4ccc(-c5nnc(-c6ccccc6)[nH]5)cc4)cc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CHEK2 O96017 4/20 0.46
LTA4H P09960 3/20 0.46
SCN4A P35499 1/20 0.46
SCN2A Q99250 1/20 0.45
TLR8 Q9NR97 1/20 0.44
DHODH Q02127 1/20 0.44
TSHR P16473 1/20 0.44
HPGDS O60760 1/20 0.44
NISCH Q9Y2I1 1/20 0.43
GSTP1 P09211 1/20 0.42
MAPK13 O15264 1/20 0.42
GCGR P47871 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
XDH P47989 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
SCHEMBL17948203 0.84 NPC1 (0.57) NPC1RAB9APOLBL3MBTL1SCN2A
SCHEMBL384952 0.84 NPC1 (0.61) NPC1RAB9APOLBL3MBTL1SCN2A
SCHEMBL419538 0.83 DHODH (0.45) NPC1RAB9APOLBL3MBTL1CHEK2
SCHEMBL24317555 0.82 NPC1 (0.59) NPC1RAB9APOLBL3MBTL1SCN2A
Naphthalene SCHEMBL28228080 0.78 NPC1 (0.55) NPC1RAB9APOLBL3MBTL1SCN2A
SCHEMBL21067971 0.77 NPC1 (0.52) NPC1RAB9APOLBL3MBTL1SCN2A
SCHEMBL15058469 0.77 NPC1 (0.50) NPC1RAB9APOLBL3MBTL1SCN2A
SCHEMBL16661157 0.77 ALDH1A1 (0.58) NPC1RAB9APOLBL3MBTL1SCN2A
SCHEMBL3681820 0.77 LTA4H (0.65) NPC1RAB9ALTA4HSCN4ATLR8
SCHEMBL10686173 0.77 LTA4H (0.65) NPC1RAB9ALTA4HSCN4ATLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9291274-A None JP disclosed
JP-H09291274-A ORGANIC MATERIAL FOR ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT USING THE SAME TOYO INK MFG CO LTD 1997-11-11 JP disclosed