SCHEMBL6170519

SCHEMBL6170519

CC(C(=O)O)c1c(C(=O)c2ccc(C(F)(F)F)cn2)[nH]c2cc(Cl)ccc12

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
ABCC4 O15439 1/20 0.43
C5 P01031 1/20 0.43
MAPT P10636 1/20 0.43
PTGS1 P23219 1/20 0.43
PDE4D Q08499 1/20 0.43
LTC4S Q16873 1/20 0.37
MDM2 Q00987 5/20 0.37
MDM4 O15151 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL6171788 0.92 PTGS2 (0.45) PTGS2KMT2AMEN1ABCC4C5
SCHEMBL6168798 0.89 PTGS2 (0.48) PTGS2KMT2AMEN1ABCC4C5
SCHEMBL6170629 0.83 PTGS2 (0.49) PTGS2KMT2AMEN1ABCC4C5
SCHEMBL6173791 0.80 PTGS2 (0.51) PTGS2KMT2AMEN1ABCC4C5
SCHEMBL6170606 0.80 PTGS2 (0.48) PTGS2KMT2AMEN1ABCC4C5
SCHEMBL6170637 0.80 PTGS2 (0.47) PTGS2KMT2AMEN1ABCC4C5
SCHEMBL6171586 0.80 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL27554536 0.79 PTGS2 (0.42) PTGS2KMT2ALTC4S
SCHEMBL6170841 0.79 PTGS2 (0.44) PTGS2KMT2AMEN1ABCC4C5
SCHEMBL6172711 0.78 PTGS2 (0.46) PTGS2KMT2AMEN1ABCC4C5

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