SCHEMBL22136308

SCHEMBL22136308

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5cc6ncccc6c6ccccc56)cc5c4sc4ccccc45)cc3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
ALOX5 P09917 1/20 0.35
MAPT P10636 1/20 0.34
PIK3CA P42336 2/20 0.33
LIMK1 P53667 1/20 0.33
TOP1 P11387 4/20 0.33
ATM Q13315 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 1/20 0.31
SYK P43405 2/20 0.31
BRD4 O60885 1/20 0.31
CYP11B1 P15538 1/20 0.31
NPC1 O15118 1/20 0.31
DHODH Q02127 1/20 0.31

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
SCHEMBL22135988 0.94 LIMK1 (0.35) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL22136066 0.94 TNKS (0.36) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL22136192 0.94 ALOX5 (0.36) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL22136058 0.87 CYP3A4 (0.41) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL22136336 0.86 ALDH1A1 (0.39) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL22136114 0.85 CYP11B1 (0.34) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL25645914 0.83 TNKS (0.43) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL25645911 0.83 TNKS (0.43) TNKSTNKS2ALOX5MAPTPIK3CA
SCHEMBL22136109 0.83 MEN1 (0.42) TNKSTNKS2ALOX5MAPTLIMK1
SCHEMBL22136331 0.83 CYP3A4 (0.41) TNKSTNKS2ALOX5MAPTPIK3CA

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