SCHEMBL22136192

SCHEMBL22136192

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cc6ncccc6c6ccccc56)cc5c4sc4ccccc45)c3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MAPT P10636 1/20 0.33
ABCG2 Q9UNQ0 8/20 0.32
PIK3CA P42336 1/20 0.31
ACVR1 Q04771 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
LIMK1 P53667 2/20 0.30
CYP3A4 P08684 1/20 0.30
BRD4 O60885 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL22136308 0.94 TNKS (0.35) ALOX5TNKSTNKS2MAPTABCG2
SCHEMBL22136066 0.92 TNKS (0.36) ALOX5TNKSTNKS2MAPTABCG2
SCHEMBL22135988 0.90 LIMK1 (0.35) ALOX5TNKSTNKS2MAPTABCG2
SCHEMBL22136104 0.87 CYP3A4 (0.39) ALOX5TNKSTNKS2MAPTPIK3CA
SCHEMBL22136084 0.86 ALDH1A1 (0.37) ALOX5TNKSTNKS2MAPTABCG2
SCHEMBL22136107 0.85 ALOX5 (0.35) ALOX5TNKSTNKS2MAPTABCG2
SCHEMBL17425694 0.84 ALOX5 (0.44) ALOX5TNKSTNKS2MAPTATM
SCHEMBL22136094 0.84 ALOX5 (0.38) ALOX5TNKSTNKS2MAPTABCG2
SCHEMBL17425450 0.83 ALOX5 (0.46) ALOX5TNKSTNKS2MAPTATM
SCHEMBL17425681 0.81 TNKS (0.41) ALOX5TNKSTNKS2MAPTATM

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-2020130553-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 두산솔루스 주식회사 2020-06-25 WO disclosed