SCHEMBL6172333

SCHEMBL6172333

CC(C(=O)O)c1c(C(=O)c2ccc(Cl)cc2)[nH]c2ccc(C(F)(F)F)cc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PTGS2 P35354 2/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
MAPT P10636 1/20 0.44
PTGS1 P23219 1/20 0.44
PDE4D Q08499 1/20 0.44
KIF11 P52732 5/20 0.40
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPKAPK3 Q16644 1/20 0.38
MAPK6 Q16659 1/20 0.38
EGFR P00533 1/20 0.38
CNR1 P21554 1/20 0.38
CYP2C9 P11712 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38

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
SCHEMBL6171881 0.90 KIF11 (0.46) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6168495 0.84 MAPT (0.45) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6171246 0.84 PTGS2 (0.47) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6171993 0.83 PTGS2 (0.52) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6173199 0.82 MAPT (0.47) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6172928 0.81 HPGD (0.47) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6173940 0.81 CNR1 (0.46) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6173670 0.81 PTGS2 (0.44) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6171788 0.81 PTGS2 (0.45) MEN1KMT2APTGS2ABCC4C5
SCHEMBL6171537 0.80 PTGS2 (0.53) MEN1KMT2APTGS2ABCC4C5

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 4 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-6555540-B1 Treatment of diabetic complications such as neuropathy, nephropathy, retinopathy and cardiomyopathy; for example zopolrestat and rofecoxib PFIZER INC 2003-04-29 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