SCHEMBL7007754

SCHEMBL7007754

CCOc1cc(OCC)cc(-c2ccc3ccccc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.54
RAB9A P51151 8/20 0.54
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
SMN1; SMN2 Q16637 5/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
MAPT P10636 4/20 0.50
TLR8 Q9NR97 1/20 0.49
AR P10275 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PDE10A Q9Y233 2/20 0.46
HPGD P15428 3/20 0.45

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
SCHEMBL7004489 0.88 PDE10A (0.52) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL30462967 0.82 ALDH1A1 (0.73) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL5539333 0.82 ALDH1A1 (0.73) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL3623078 0.80 S1PR1 (0.45) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7005374 0.78 NPC1 (0.54) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL28653821 0.78 TLR8 (0.60) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7005281 0.77 TLR8 (0.49) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL28180362 0.77 MAPT (0.55) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL741255 0.77 KDM4E (0.61) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2
SCHEMBL7004490 0.77 GPBAR1 (0.64) NPC1RAB9AKDM4EALDH1A1SMN1; SMN2

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