SCHEMBL6173791

SCHEMBL6173791

CC(C(=O)O)c1c(C(=O)c2ccc(Cl)cn2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
ABCC4 O15439 1/20 0.51
C5 P01031 1/20 0.51
PTGS1 P23219 1/20 0.51
PDE4D Q08499 1/20 0.51
SIRT1 Q96EB6 1/20 0.42
MAP2 P11137 4/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.37

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
SCHEMBL6170964 0.92 PTGS2 (0.48) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6168798 0.91 PTGS2 (0.48) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6171197 0.89 PTGS2 (0.49) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6171788 0.89 PTGS2 (0.45) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6173187 0.86 PTGS2 (0.51) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6171521 0.86 PTGS2 (0.47) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6172609 0.84 PTGS2 (0.48) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6172409 0.83 PTGS2 (0.50) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6171377 0.82 PTGS2 (0.49) PTGS2MEN1KMT2AMAPTABCC4
SCHEMBL6170818 0.81 PTGS2 (0.48) PTGS2MEN1KMT2AMAPTABCC4

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