SCHEMBL14346802

SCHEMBL14346802

CCCOc1ccc(-c2nc3ccc(OC)cc3o2)cn1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.63
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TLR7 Q9NYK1 5/20 0.46
TP53 P04637 2/20 0.46
GPR119 Q8TDV5 2/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TLR9 Q9NR96 3/20 0.44
F2RL3 Q96RI0 2/20 0.44

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
SCHEMBL3203763 0.90 APP (0.67) APPESR1ESR2NPC1RAB9A
SCHEMBL3181774 0.88 APP (0.71) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL3198654 0.80 APP (0.71) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL3187032 0.79 APP (0.70) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL3181750 0.79 APP (0.70) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL3188005 0.77 APP (1.00) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL3192613 0.77 APP (0.84) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL3188032 0.76 APP (0.65) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL21566015 0.75 APP (0.63) APPNPC1RAB9ASMN1; SMN2TLR7
SCHEMBL13419363 0.74 APP (0.84) APPNPC1RAB9ASMN1; SMN2TLR7

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-2007149030-A1 NOVEL HETEROARYL SUBSTITUTED BENZOXAZOLES ASTRAZENECA AB (SE) 2007-12-27 WO disclosed