SCHEMBL6170422

SCHEMBL6170422

COc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)c1.COc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.73
PTGS1 P23219 7/20 0.64

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
SCHEMBL6169061 1.00 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6169510 0.92 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL27531805 0.91 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL6168380 0.88 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL6171284 0.88 PTGS2 (0.70) PTGS2PTGS1
SCHEMBL6170181 0.86 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL5322310 0.84 PTGS2 (0.73) PTGS2PTGS1
SCHEMBL6169677 0.84 PTGS2 (1.00) PTGS2PTGS1
SCHEMBL6168950 0.84 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6169673 0.84 PTGS2 (0.64) 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
EP-1045833-B1 2,3-SUBSTITUTED INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2005-11-02 EP claimed