SCHEMBL7004330

SCHEMBL7004330

COc1cc(OC)c(C)c(-c2ccc3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
KDM4E B2RXH2 5/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MAPT P10636 3/20 0.46
LMNA P02545 2/20 0.46
ALOX15 P16050 1/20 0.46
TLR8 Q9NR97 1/20 0.45
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
AR P10275 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A1 P04798 1/20 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
SCHEMBL7003762 0.80 TLR8 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7005281 0.80 TLR8 (0.49) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7005634 0.79 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7005330 0.78 TLR8 (0.51) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL5682766 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL29746285 0.77 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL7004498 0.77 TLR8 (0.52) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL6856561 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
Hydrochloric Acid SCHEMBL38654589 0.75 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL30462967 0.75 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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