SCHEMBL6963552

SCHEMBL6963552

CS(=O)(=O)OCCCc1[nH]cc(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.39
MAPK11 Q15759 4/20 0.39
MAPK13 O15264 3/20 0.39
MAPK12 P53778 3/20 0.39
RAF1 P04049 1/20 0.39
MAPK9 P45984 1/20 0.39
GCGR P47871 2/20 0.38
NR3C1 P04150 1/20 0.35
PGR P06401 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
ALOX5 P09917 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
CSNK1E P49674 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CSNK1A1L Q8N752 1/20 0.34

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
SCHEMBL6371402 0.86 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL6962798 0.80 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12MAPK9
SCHEMBL6371399 0.79 MAPK14 (0.43) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL6956938 0.77 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL6953493 0.76 MAPK14 (0.64) MAPK14MAPK11MAPK13MAPK12GCGR
SCHEMBL6246309 0.74 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12RAF1
SCHEMBL27627756 0.72 MAPK14 (0.45) MAPK14GCGR
SCHEMBL27627757 0.72 MAPK14 (0.45) MAPK14GCGR
SCHEMBL6963796 0.71 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12ALOX5
SCHEMBL5850335 0.68 MAPK14 (0.65) MAPK14MAPK11MAPK13MAPK12RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178981-B1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO MCNEIL PHARM INC (US) 2003-06-25 EP disclosed
US-6562843-B1 For treating disorders ameliorated by a reduction in TNF-alpha production and/or p38 activity, and are therefore useful for treating inflammatory disorders such as rheumatoid arthritis, as well as AIDS-related disorders ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-05-13 US disclosed
EP-1178981-A1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS Ortho-Mcneil Pharmaceutical, Inc. (US) 2002-02-13 EP disclosed
WO-2000069847-A1 SUBSTITUTED 3-PYRIDYL-4-ARYLPYRROLES, AND RELATED THERAPEUTIC AND PROPHYLACTIC METHODS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-11-23 WO disclosed