SCHEMBL6604779

SCHEMBL6604779

CS(=O)(=O)c1cccc(-c2cnn(-c3cccc(F)c3)c(=O)c2-c2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.65
PTGS1 P23219 10/20 0.46
NTRK1 P04629 1/20 0.42
MET P08581 1/20 0.42
PIM1 P11309 1/20 0.42
FGFR1 P11362 1/20 0.42
MAP2K2 P36507 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
GSK3B P49841 1/20 0.42
NTRK3 Q16288 1/20 0.42
ALK Q9UM73 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
S1PR1 P21453 1/20 0.41
PLK4 O00444 1/20 0.40

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
SCHEMBL6604775 0.92 PTGS2 (0.79) PTGS2PTGS1
SCHEMBL6603154 0.91 PTGS2 (0.78) PTGS2PTGS1NTRK1METPIM1
SCHEMBL4197059 0.86 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4191346 0.84 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL4196101 0.83 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL4180371 0.81 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL6601825 0.81 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL4191548 0.80 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL6603152 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6601979 0.79 PTGS2 (0.77) PTGS2PTGS1NTRK1METPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004960-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 US claimed
EP-0975604-B1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA INC (CA) 2004-07-21 EP disclosed
EP-0975604-A1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 Merck Frosst Canada & Co. (CA) 2000-02-02 EP disclosed
US-6004960-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS; ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION MERCK FROSST CANADA, INC. (CA) 1999-12-21 US disclosed
WO-1998041511-A1 PYRIDAZINONES AS INHIBITORS OF CYCLOOXYGENASE-2 MERCK FROSST CANADA & CO. (CA) 1998-09-24 WO disclosed