SCHEMBL6574414

SCHEMBL6574414

Cc1ccc(C(C)(C)C)cc1-n1nccc1NC(=O)Nc1ccc(OCCC2CC[S+]([O-])C2)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.45
MAPK12 P53778 7/20 0.45
TNF P01375 8/20 0.44
HCK P08631 4/20 0.44
MAPK13 O15264 2/20 0.44
MAPK11 Q15759 2/20 0.44
CIT O14578 1/20 0.44
MUSK O15146 1/20 0.44
MAP3K7 O43318 1/20 0.44
RIPK2 O43353 1/20 0.44
STK10 O94804 1/20 0.44
MAP4K4 O95819 1/20 0.44
CHEK2 O96017 1/20 0.44
ABL1 P00519 1/20 0.44
EGFR P00533 1/20 0.44
RAF1 P04049 1/20 0.44
NTRK1 P04629 1/20 0.44
HSPB1 P04792 1/20 0.44
PRKCB P05771 1/20 0.44
LCK P06239 1/20 0.44

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
SCHEMBL6575226 0.89 MAPK14 (0.54) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL6256589 0.85 MAPK14 (0.57) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL6574418 0.84 TNF (0.56) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL7854708 0.83 MAPK14 (0.46) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL7856495 0.82 MAPK14 (0.49) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL7844842 0.81 MAPK14 (0.64) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL29594215 0.80 TNF (0.66) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL5620259 0.80 MAPK14 (0.45) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL294659 0.80 TNF (0.66) MAPK14MAPK12TNFHCKMAPK13
SCHEMBL6165706 0.80 MAPK14 (0.71) MAPK14MAPK12TNFHCKMAPK13

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408950-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-04-21 EP disclosed
WO-2003005999-A2 METHODS OF TREATING CYTOKINE MEDIATED DISEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-01-23 WO disclosed