SCHEMBL8102854

SCHEMBL8102854

CC(=O)OCCCCc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.47
GSK3B P49841 1/20 0.41
MAPK13 O15264 6/20 0.40
MAPK12 P53778 6/20 0.40
MAPK11 Q15759 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 1/20 0.39
GCGR P47871 1/20 0.38
MAPK10 P53779 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL16573706 0.85 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL8098012 0.85 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11NPSR1
SCHEMBL8129355 0.83 MAPK14 (0.42) MAPK14MAPK13MAPK12MAPK11FAAH
SCHEMBL14549160 0.77 POLB (0.38) MAPK14NPSR1FAAH
SCHEMBL7144420 0.77 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL7144416 0.77 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11SMN1; SMN2
SCHEMBL5903491 0.75 MAPK14 (0.68) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL7162537 0.74 MAPK14 (0.67) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL27489999 0.73 MAPK14 (0.58) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL13670475 0.73 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994858-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES Ortho-McNeil Pharmaceutical, Inc. (US) 2000-04-26 EP disclosed
US-6040320-A ANTIINFLAMMATORY AGENT FOR TREATING DISEASES ASSOCIATED WITH OVERPRODUCTION OF INFLAMMATORY CYTOKINES, SUCH AS RHEUMATOID ARTHRITIS, INFLAMMATORY BOWEL DISEASE, SEPTIC SHOCK, OSTEOPOROSIS, AND OSTEOARTHRITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2000-03-21 US disclosed
WO-1999003837-A1 2-SUBSTITUTED IMIDAZOLES USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 1999-01-28 WO disclosed