SCHEMBL29043172

SCHEMBL29043172

COc1ccc(-c2ncnc(Br)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 3/20 0.52
MAPT P10636 5/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 7/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RAB9A P51151 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
S1PR1 P21453 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
XDH P47989 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL28849727 0.87 CLK4 (0.61) CLK4MAPTKDM4ETP53NPC1
SCHEMBL6949389 0.80 S1PR1 (0.58) CLK4MAPTKDM4ETP53NPC1
SCHEMBL29428939 0.80 S1PR1 (0.58) CLK4MAPTKDM4ETP53NPC1
SCHEMBL27587282 0.79 CLK4 (0.49) CLK4MAPTKDM4ETP53NPC1
SCHEMBL7917933 0.79 MAPT (0.69) CLK4MAPTKDM4ETP53NPC1
SCHEMBL30760718 0.79 S1PR1 (0.57) CLK4MAPTKDM4ETP53NPC1
SCHEMBL14432249 0.79 KMT2A (0.53) CLK4MAPTKDM4ETP53NPC1
SCHEMBL27719386 0.79 CLK4 (0.52) CLK4MAPTKDM4ETP53NPC1
SCHEMBL28635605 0.76 RAB9A (0.48) MAPTKDM4ETP53NPC1MEN1
SCHEMBL1335204 0.75 CLK4 (0.67) CLK4MAPTKDM4ETP53NPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116893571-A Photosensitive composition 东京应化工业株式会社 2023-10-17 CN disclosed
CN-116515023-A Composition and cured product 东京应化工业株式会社 2023-08-01 CN disclosed