SCHEMBL8537658

SCHEMBL8537658

CN(C)c1nccc(Nc2ccc(C(=O)C(=O)Nc3cc(C(C)(C)C)sc3OC(N)=O)c3ccccc23)n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.46
CDK8 P49336 4/20 0.33
CSNK1A1 P48729 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
CDK5 Q00535 1/20 0.32
SCARB1 Q8WTV0 2/20 0.31
MAPK9 P45984 2/20 0.30
LMNA P02545 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
SCHEMBL1599862 0.89 MAPK14 (0.47) MAPK14CDK8CSNK1A1SLC22A12
SCHEMBL8536925 0.84 MAPK14 (0.47) MAPK14SCARB1
SCHEMBL1600569 0.78 MAPK14 (0.64) MAPK14SCARB1
SCHEMBL1600554 0.78 MAPK14 (0.57) MAPK14SCARB1
SCHEMBL8534468 0.77 MAPK14 (0.41) MAPK14SCARB1MAPK9
SCHEMBL1600583 0.77 MAPK14 (0.49) MAPK14
SCHEMBL5823307 0.75 MAPK14 (0.36) MAPK14SLC22A12
SCHEMBL4411181 0.75 MAPK14 (0.44) MAPK14MAPK9
SCHEMBL1598842 0.74 MAPK14 (0.81) MAPK14SCARB1
SCHEMBL1600460 0.73 MAPK14 (0.47) MAPK14SCARB1MAPK9

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
EP-1670787-B1 CYTOKINE INHIBITORS ITHERX PHARMA INC (US) 2012-05-30 EP claimed