SCHEMBL22136109

SCHEMBL22136109

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5nc6ccccc6c6ccccc56)cc5c4sc4ccccc45)cc3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ATM Q13315 2/20 0.42
TNKS O95271 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ALOX5 P09917 1/20 0.37
MAPT P10636 2/20 0.36
HCRTR1 O43613 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LIMK1 P53667 1/20 0.33
PIM3 Q86V86 1/20 0.32
ABCG2 Q9UNQ0 3/20 0.32
WHR1 P49842 1/20 0.32
ACACA Q13085 1/20 0.32
ADORA2A P29274 1/20 0.32
NUDT1 P36639 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE5A O76074 1/20 0.32

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
SCHEMBL22135986 0.94 MEN1 (0.41) MEN1KMT2AATMTNKSTNKS2
SCHEMBL22136068 0.94 MEN1 (0.40) MEN1KMT2AATMTNKSTNKS2
SCHEMBL22136094 0.93 ALOX5 (0.38) MEN1KMT2AATMTNKSTNKS2
SCHEMBL22136339 0.89 MEN1 (0.37) MEN1KMT2AATMTNKSTNKS2
SCHEMBL25645911 0.86 TNKS (0.43) MEN1KMT2AATMTNKSTNKS2
SCHEMBL25645914 0.86 TNKS (0.43) MEN1KMT2AATMTNKSTNKS2
SCHEMBL22136194 0.86 KDM4E (0.33) MEN1KMT2AATMALOX5
SCHEMBL22136308 0.83 TNKS (0.35) MEN1KMT2AATMTNKSTNKS2
SCHEMBL22136112 0.83 KDM4E (0.38) MEN1KMT2AATMTNKSTNKS2
SCHEMBL22058298 0.83 TNKS (0.40) MEN1KMT2AATMTNKSTNKS2

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