SCHEMBL26568840

SCHEMBL26568840

CC(C)(C)c1ccc(-c2ccccc2N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2cccc3c2sc2ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
ALOX5 P09917 1/20 0.35
TNF P01375 1/20 0.34
NOD1 Q9Y239 1/20 0.34
GPR84 Q9NQS5 1/20 0.33
S1PR4 O95977 1/20 0.32
S1PR5 Q9H228 1/20 0.32
NR1I2 O75469 1/20 0.32
LMNA P02545 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
PARP14 Q460N5 1/20 0.31
LIMK1 P53667 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
SCHEMBL26573559 0.93 TNKS (0.37) TNKSTNKS2ALOX5TNFNOD1
SCHEMBL26568743 0.93 TNKS (0.36) TNKSTNKS2ALOX5TNFNOD1
SCHEMBL26573637 0.92 ALOX5 (0.34) TNKSTNKS2ALOX5PARP14LIMK1
SCHEMBL26568339 0.92 ALOX5 (0.34) TNKSTNKS2ALOX5PARP14LIMK1
SCHEMBL26568153 0.92 ALOX5 (0.34) TNKSTNKS2ALOX5GPR84PARP14
SCHEMBL26568759 0.91 ALOX5 (0.38) TNKSTNKS2ALOX5TNFNOD1
SCHEMBL26589028 0.91 ALOX5 (0.34) TNKSTNKS2ALOX5PARP14LIMK1
SCHEMBL26569370 0.90 ALOX5 (0.40) TNKSTNKS2ALOX5PARP14LIMK1
SCHEMBL26568837 0.90 TNKS (0.35) TNKSTNKS2TNFNOD1GPR84
SCHEMBL26588244 0.89 ALOX5 (0.39) TNKSTNKS2ALOX5TNFPARP14

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-2023182323-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-09-28 WO disclosed