SCHEMBL6581589

SCHEMBL6581589

NS(=O)(=O)c1ccc(CSc2nc(-c3ccccn3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.55
MAPK13 O15264 10/20 0.55
MAPK12 P53778 10/20 0.55
MAPK11 Q15759 10/20 0.55
GSK3B P49841 4/20 0.49
PTGS1 P23219 1/20 0.48
PTGS2 P35354 1/20 0.48
GSK3A P49840 1/20 0.47
ALOX5 P09917 1/20 0.46

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
SCHEMBL6581452 0.91 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581503 0.90 PTGS1 (0.60) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL7087719 0.86 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581592 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL6582166 0.83 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581555 0.83 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581216 0.81 PTGS2 (0.58) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL7089496 0.79 PTGS1 (0.61) MAPK14MAPK13MAPK12MAPK11PTGS1
SCHEMBL6579341 0.79 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6579637 0.77 MAPK14 (0.74) MAPK14MAPK13MAPK12MAPK11GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP claimed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US claimed
EP-1112265-B1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2004-01-14 EP disclosed
US-6432988-B1 RHEUMATIC DISEASES, (OSTEO)ARTHRITIS, CACHEXIA, INFLAMMATORY BOWEL DISEASE, TOXIC SHOCK SYNDROME, SEPSIS, CROHN*S DISEASE, PSORIASIS AND GOUT TREATMENT MERCKLE GMBH (DE) 2002-08-13 US disclosed
EP-1112265-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2001-07-04 EP disclosed
WO-2000017192-A1 2-ARYLALKYLTHIO -IMIDAZOLES, 2-ARYLALKENYL -THIO -IMIDAZOLES AND 2-ARYLALKINYL -THIO -IMIDAZOLES AS ANTI -INFLAMMATORY SUBSTANCES AND SUBSTANCES INHIBITING THE RELEASE OF CYTOKINE MERCKLE GMBH (DE) 2000-03-30 WO disclosed