SCHEMBL6574418

SCHEMBL6574418

Cc1ccccc1-n1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(OCCC2CC[S+]([O-])C2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 8/20 0.56
MAPK14 Q16539 11/20 0.55
MAPK12 P53778 8/20 0.55
HCK P08631 6/20 0.55
MAPK13 O15264 2/20 0.55
MAPK11 Q15759 2/20 0.55
CIT O14578 1/20 0.55
MUSK O15146 1/20 0.55
MAP3K7 O43318 1/20 0.55
RIPK2 O43353 1/20 0.55
STK10 O94804 1/20 0.55
MAP4K4 O95819 1/20 0.55
CHEK2 O96017 1/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
RAF1 P04049 1/20 0.55
NTRK1 P04629 1/20 0.55
HSPB1 P04792 1/20 0.55
PRKCB P05771 1/20 0.55
LCK P06239 1/20 0.55

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
SCHEMBL29594215 0.92 TNF (0.66) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL294659 0.92 TNF (0.66) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL295377 0.88 MAPK14 (0.52) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL6260168 0.85 TNF (0.67) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL6574414 0.84 MAPK14 (0.45) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL29594339 0.79 MAPK14 (0.79) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL29593878 0.79 MAPK14 (0.70) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL294689 0.79 MAPK14 (0.79) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL295776 0.79 MAPK14 (0.70) TNFMAPK14MAPK12HCKMAPK13
SCHEMBL28464486 0.79 MAPK14 (0.64) TNFMAPK14MAPK12HCKMAPK13

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