SCHEMBL22136100

SCHEMBL22136100

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccc6ccc7cnccc7c6c5)cc5c4sc4ccccc45)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.37
ALOX5 P09917 1/20 0.37
TNF P01375 1/20 0.33
MAP3K8 P41279 3/20 0.33
TDO2 P48775 2/20 0.33
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
MAPT P10636 2/20 0.32
LIMK1 P53667 1/20 0.31
CYP11B1 P15538 1/20 0.30
NPC1 O15118 1/20 0.30
LMNA P02545 1/20 0.30
RECQL P46063 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 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
SCHEMBL22136196 0.95 MAPK10 (0.39) MAPK10ALOX5TNFTDO2TNKS
SCHEMBL22136051 0.93 MAPK10 (0.39) MAPK10ALOX5TNFTDO2TNKS
SCHEMBL22135989 0.92 MAPK10 (0.40) MAPK10ALOX5TNFTDO2TNKS
SCHEMBL22136116 0.87 MAPK10 (0.38) MAPK10ALOX5TNKSTNKS2MAPT
SCHEMBL22136055 0.86 ALOX5 (0.38) MAPK10ALOX5MAP3K8TNKSTNKS2
SCHEMBL17425450 0.85 ALOX5 (0.46) ALOX5MAP3K8TNKSTNKS2MAPT
SCHEMBL22136104 0.84 CYP3A4 (0.39) MAPK10ALOX5TNKSTNKS2MAPT
SCHEMBL17425694 0.84 ALOX5 (0.44) ALOX5MAP3K8TNKSTNKS2MAPT
SCHEMBL17425681 0.84 TNKS (0.41) ALOX5TNKSTNKS2MAPTLIMK1
SCHEMBL22136097 0.84 ALOX5 (0.38) MAPK10ALOX5MAP3K8TNKSTNKS2

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