SCHEMBL6171600

SCHEMBL6171600

Cc1ccnc(C(=O)c2[nH]c3cc(Cl)c(Cl)cc3c2C(C)C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.58
PTGS1 P23219 8/20 0.58
MEN1 O00255 1/20 0.37
ABCC4 O15439 1/20 0.37
C5 P01031 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4D Q08499 1/20 0.37
CTSA P10619 1/20 0.36
SORT1 Q99523 1/20 0.34

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
SCHEMBL6173175 0.93 PTGS2 (0.69) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6172104 0.88 PTGS2 (0.53) PTGS2PTGS1
SCHEMBL6170712 0.88 PTGS2 (0.53) PTGS2PTGS1MEN1MAPTKMT2A
SCHEMBL6172560 0.84 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL6169271 0.84 PTGS2 (0.66) PTGS2PTGS1
SCHEMBL6181624 0.84 PTGS2 (0.66) PTGS2PTGS1MEN1KMT2A
SCHEMBL6174674 0.82 PTGS2 (0.68) PTGS2PTGS1MEN1MAPTKMT2A
SCHEMBL6171712 0.82 PTGS2 (0.68) PTGS2PTGS1
SCHEMBL7202770 0.82 PTGS2 (0.48) PTGS2PTGS1MEN1MAPTKMT2A
SCHEMBL6171838 0.82 PTGS2 (0.67) 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 3 patents. 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
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US claimed
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed