SCHEMBL5299656

SCHEMBL5299656

O=Cc1ccccc1OCc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.64
RAB9A P51151 11/20 0.64
SMN1; SMN2 Q16637 9/20 0.64
TP53 P04637 3/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 1/20 0.59
TSHR P16473 1/20 0.58
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
PKM P14618 1/20 0.51

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
SCHEMBL856396 0.84 NPC1 (0.55) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL12338586 0.80 RAB9A (0.51) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL13405942 0.80 LMNA (0.72) SMN1; SMN2TP53LMNAPKM
SCHEMBL1055062 0.80 RAB9A (0.52) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL14147581 0.80 NPC1 (0.50) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL1049736 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL856031 0.79 NPC1 (0.61) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL3429444 0.78 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL10858025 0.78 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TP53MAPK1
SCHEMBL7692504 0.78 NPC1 (0.69) NPC1RAB9ASMN1; SMN2TP53MAPK1

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
WO-2007017267-A2 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2007-02-15 WO disclosed