SCHEMBL6170841

SCHEMBL6170841

CC(C(=O)O)c1c(C(=O)c2cc(C(C)(C)C)ccn2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.44
PTGS1 P23219 4/20 0.44
MEN1 O00255 1/20 0.43
ABCC4 O15439 1/20 0.43
C5 P01031 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE4D Q08499 1/20 0.43
MDM2 Q00987 6/20 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
SCHEMBL6175111 0.92 PTGS2 (0.48) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6170606 0.90 PTGS2 (0.48) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6171300 0.86 PTGS2 (0.47) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6172780 0.85 PTGS2 (0.47) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6172840 0.84 PTGS2 (0.44) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6170598 0.84 PTGS2 (0.48) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6174363 0.84 PTGS2 (0.49) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6169322 0.82 PTGS2 (0.45) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL7203012 0.82 PTGS2 (0.42) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6170629 0.81 PTGS2 (0.49) PTGS2PTGS1MEN1ABCC4C5

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