SCHEMBL22136196

SCHEMBL22136196

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cc(-c5ccc6ccc7cnccc7c6c5)cc5c4sc4ccccc45)cc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.39
TNF P01375 1/20 0.35
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
ALOX5 P09917 1/20 0.34
MAPT P10636 3/20 0.33
HASPIN Q8TF76 1/20 0.33
TDO2 P48775 2/20 0.32
LIMK1 P53667 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
PIK3CA P42336 1/20 0.32
PRKCZ Q05513 2/20 0.32
CYP11B1 P15538 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL22136051 0.96 MAPK10 (0.39) MAPK10TNFTNKSTNKS2ALOX5
SCHEMBL22136100 0.95 MAPK10 (0.37) MAPK10TNFTNKSTNKS2ALOX5
SCHEMBL22135989 0.95 MAPK10 (0.40) MAPK10TNFTNKSTNKS2ALOX5
SCHEMBL22136116 0.90 MAPK10 (0.38) MAPK10TNKSTNKS2ALOX5MAPT
SCHEMBL22136112 0.85 KDM4E (0.38) MAPK10TNKSTNKS2ALOX5MAPT
SCHEMBL22136058 0.83 CYP3A4 (0.41) MAPK10TNKSTNKS2ALOX5MAPT
SCHEMBL22136332 0.83 MAPT (0.39) MAPK10TNKSTNKS2ALOX5MAPT
SCHEMBL22136111 0.82 MAPK10 (0.47) MAPK10TNKSTNKS2ALOX5MAPT
SCHEMBL22136337 0.82 KDM4E (0.38) TNKSTNKS2ALOX5MAPTLIMK1
SCHEMBL17425681 0.81 TNKS (0.41) TNKSTNKS2ALOX5MAPTLIMK1

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