SCHEMBL6948992

SCHEMBL6948992

Cc1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2N)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.52
PTGS1 P23219 7/20 0.52
ALOX15 P16050 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
SCHEMBL6946077 0.90 PTGS2 (0.46) PTGS2PTGS1ALOX15
SCHEMBL7505343 0.85 KDM4E (0.52) PTGS2PTGS1ALOX15
SCHEMBL7508086 0.83 GRM4 (0.42) PTGS2
SCHEMBL7503474 0.82 PTGS2 (0.48) PTGS2PTGS1ALOX15
SCHEMBL6170181 0.82 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL27532025 0.82 PTGS2 (0.52) PTGS2PTGS1ALOX15
SCHEMBL6171070 0.81 PTGS2 (0.48) PTGS2PTGS1ALOX15
SCHEMBL6169368 0.80 PTGS2 (0.62) PTGS2PTGS1
SCHEMBL6171069 0.79 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL7507506 0.79 PTGS2 (0.48) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP claimed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US claimed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP claimed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO claimed
EP-0985666-B1 Substituted indole compounds as COX-2 inhibitors PFIZER (US) 2003-11-05 EP disclosed
EP-1001934-B1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER (US) 2002-11-27 EP disclosed
US-6300363-B1 USEFUL IN THE TREATMENT OR ALLEVIATION OF INFLAMMATION AND OTHER INFLAMMATION ASSOCIATED DISORDERS IN MAMMALS PFIZER INC. 2001-10-09 US disclosed
US-6277878-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS PFIZER INC 2001-08-21 US disclosed
EP-1001934-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 2000-05-24 EP disclosed
EP-0985666-A1 Substituted indole compounds as COX-2 inhibitors PFIZER INC. (US) 2000-03-15 EP disclosed
WO-1999005104-A1 INDOLE COMPOUNDS AS COX-2 INHIBITORS PFIZER PHARMACEUTICALS INC. (JP) 1999-02-04 WO disclosed