SCHEMBL22136107

SCHEMBL22136107

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5cc6ccccc6c6ncccc56)cc5c4sc4ccccc45)c3)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.35
PIK3CD O00329 1/20 0.34
CYP11B1 P15538 1/20 0.33
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
MAPT P10636 2/20 0.32
PIK3CA P42336 1/20 0.32
PDE4A P27815 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
AGTR1 P30556 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
LIMK1 P53667 2/20 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
SCHEMBL22136114 0.94 CYP11B1 (0.34) ALOX5PIK3CDCYP11B1TNKSTNKS2
SCHEMBL22136084 0.93 ALDH1A1 (0.37) ALOX5PIK3CDCYP11B1TNKSTNKS2
SCHEMBL22136069 0.93 CYP11B1 (0.35) ALOX5PIK3CDCYP11B1TNKSTNKS2
SCHEMBL22135977 0.91 LIMK1 (0.36) ALOX5PIK3CDCYP11B1TNKSTNKS2
SCHEMBL23331705 0.87 L3MBTL1 (0.37) ALOX5PIK3CDCYP11B1TNKSTNKS2
SCHEMBL22136336 0.86 ALDH1A1 (0.39) ALOX5CYP11B1TNKSTNKS2MAPT
SCHEMBL22136082 0.86 TOP1 (0.36) ALOX5CYP11B1TNKSTNKS2MAPT
SCHEMBL22136192 0.85 ALOX5 (0.36) ALOX5TNKSTNKS2MAPTPIK3CA
SCHEMBL22136045 0.85 ALDH1A1 (0.39) ALOX5CYP11B1TNKSTNKS2MAPT
SCHEMBL22136098 0.85 ALOX5 (0.37) ALOX5TNKSTNKS2MAPTPIK3CA

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