SCHEMBL7004489

SCHEMBL7004489

CCOc1cccc(-c2ccc3ccccc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
KDM4E B2RXH2 4/20 0.51
NPC1 O15118 3/20 0.51
ALDH1A1 P00352 3/20 0.51
RAB9A P51151 3/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
TP53 P04637 2/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 2/20 0.49
ALOX12 P18054 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GPBAR1 Q8TDU6 5/20 0.49
CYSLTR1 Q9Y271 4/20 0.49
FGFR1 P11362 1/20 0.49

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
SCHEMBL7004490 0.89 GPBAR1 (0.64) PDE10ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7007754 0.88 NPC1 (0.54) PDE10ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL7004665 0.85 NPC1 (0.48) PDE10ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL29746123 0.83 RAB9A (0.69) PDE10ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL6851588 0.83 RAB9A (0.69) PDE10ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL10665251 0.83 CYP3A4 (0.56) PDE10ASMN1; SMN2GPBAR1CYSLTR1CYSLTR2
SCHEMBL3631400 0.82 FGFR1 (0.54) SMN1; SMN2KDM4EALDH1A1RAB9ATP53
SCHEMBL6858239 0.82 RAB9A (0.67) PDE10ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL8775301 0.81 TP53 (0.46) PDE10ASMN1; SMN2KDM4ENPC1ALDH1A1
SCHEMBL28180362 0.81 MAPT (0.55) SMN1; SMN2KDM4ENPC1ALDH1A1RAB9A

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