SCHEMBL26568683

SCHEMBL26568683

CC(C)(C)c1ccc(N(c2ccccc2-c2cccc3cccc(-c4ccccc4)c23)c2cccc3sc4ccccc4c23)cc1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
TNF P01375 1/20 0.32
NOD1 Q9Y239 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL26568672 0.97 TNKS (0.33) TNKSTNKS2TNFNOD1GPR84
SCHEMBL26568744 0.94 TNKS (0.34) TNKSTNKS2TNFNOD1GPR84
SCHEMBL26568839 0.93 TNKS (0.35) TNKSTNKS2TNFNOD1GPR84
SCHEMBL26568668 0.90 GPR84 (0.31) TNKSTNKS2GPR84
SCHEMBL26568154 0.90 GPR84 (0.31) TNKSTNKS2GPR84
SCHEMBL26573164 0.90
SCHEMBL26573153 0.90
SCHEMBL26568837 0.90 TNKS (0.35) TNKSTNKS2TNFNOD1GPR84
SCHEMBL26584596 0.89 LIMK1 (0.32)
SCHEMBL26569838 0.89 ALDH1A1 (0.33) TP53

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