SCHEMBL7005281

SCHEMBL7005281

CCOc1cc(OCC)c(C)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.45
KDM4E B2RXH2 5/20 0.45
LMNA P02545 2/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 3/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
TERT O14746 1/20 0.40
AR P10275 4/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL7005330 0.87 TLR8 (0.51) TLR8SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL741255 0.84 KDM4E (0.61) TLR8SMN1; SMN2KDM4ELMNATP53
SCHEMBL7004498 0.84 TLR8 (0.52) TLR8SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL7004330 0.80 ALDH1A1 (0.54) TLR8SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL15361972 0.79 TLR8 (0.54) TLR8SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL7007754 0.77 NPC1 (0.54) TLR8SMN1; SMN2KDM4ELMNATP53
SCHEMBL7003762 0.76 TLR8 (0.49) TLR8SMN1; SMN2KDM4ELMNARAB9A
SCHEMBL28653821 0.75 TLR8 (0.60) TLR8SMN1; SMN2KDM4ERAB9ANPC1
SCHEMBL7003760 0.73 S1PR1 (0.48) TLR8SMN1; SMN2KDM4ELMNATP53
SCHEMBL7004489 0.72 PDE10A (0.52) TLR8SMN1; SMN2KDM4ETP53RAB9A

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-2012064499-A1 PHOSPHORESCENT MATERIALS UNIVERSAL DISPLAY CORPORATION (US) 2012-05-18 WO disclosed