SCHEMBL14758552

SCHEMBL14758552

COc1cc(N)c(-c2ccc3cc(OC)c(OC)cc3n2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.41
SLC2A1 P11166 2/20 0.41
PDGFRB P09619 3/20 0.41
PDGFRA P16234 3/20 0.41
TLR8 Q9NR97 1/20 0.40
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
EHMT1 Q9H9B1 1/20 0.38
MAPT P10636 2/20 0.37
RAD52 P43351 1/20 0.36
PDPK1 O15530 2/20 0.36
DAPK3 O43293 1/20 0.36
PRKD3 O94806 1/20 0.36

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
SCHEMBL14758368 0.91 PDGFRB (0.45) NQO2SLC2A1PDGFRBPDGFRATLR8
SCHEMBL16217112 0.88 TLR8 (0.40) NQO2SLC2A1PDGFRBPDGFRATLR8
SCHEMBL16217091 0.87 NQO2 (0.40) NQO2SLC2A1PDGFRBPDGFRATLR8
SCHEMBL13870938 0.81 NQO2 (0.46) NQO2PDGFRBPDGFRATLR8KDM4E
SCHEMBL8887931 0.77 MEN1 (0.50) NQO2PDGFRBPDGFRATLR8KDM4E
SCHEMBL13870937 0.76 PDGFRB (0.47) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL13870934 0.76 PDGFRB (0.43) NQO2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL13870936 0.75 PDGFRB (0.45) NQO2PDGFRBPDGFRATLR8KDM4E
SCHEMBL28280763 0.72 EHMT2 (0.59) NQO2SLC2A1PDGFRBPDGFRATLR8
SCHEMBL13870939 0.71 KDM4E (0.55) NQO2SLC2A1PDGFRBPDGFRAKDM4E

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-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 WO disclosed