SCHEMBL8302448

SCHEMBL8302448

COc1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(N)cc2)cc1Cl

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 20/20 0.77
PTGS1 P23219 12/20 0.77

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
SCHEMBL213075 0.87 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL8297503 0.86 PTGS2 (0.76) PTGS2PTGS1
SCHEMBL3249658 0.86 PTGS2 (1.00) PTGS2PTGS1
Sulfamide SCHEMBL4638345 0.85 PTGS2 (0.81) PTGS2PTGS1
SCHEMBL5594407 0.81 PTGS2 (0.89) PTGS2PTGS1
SCHEMBL5595203 0.80 PTGS2 (0.88) PTGS2PTGS1
SCHEMBL5594654 0.79 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594262 0.78 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5593845 0.75 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL5594204 0.75 PTGS2 (1.00) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO disclosed