SCHEMBL6581555

SCHEMBL6581555

C[S+]([O-])c1ccc(CSc2nc(-c3ccccn3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.55
MAPK13 O15264 11/20 0.55
MAPK12 P53778 11/20 0.55
MAPK11 Q15759 11/20 0.55
GSK3B P49841 3/20 0.49
GSK3A P49840 1/20 0.45
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 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
SCHEMBL6579200 0.90 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6582216 0.85 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6582166 0.85 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581503 0.85 PTGS1 (0.60) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6581558 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4106398 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6581589 0.83 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4526549 0.81 TGFBR1 (0.53) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4466262 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL4459341 0.81 MAPK14 (0.68) 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