SCHEMBL6172407

SCHEMBL6172407

Cc1nnsc1C(=O)c1[nH]c2cc(Cl)ccc2c1C(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46
PTGS1 P23219 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4D Q08499 1/20 0.46
POLB P06746 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.37
MDM2 Q00987 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
SCHEMBL6174047 0.92 PTGS2 (0.48) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6170333 0.80 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL6171537 0.79 PTGS2 (0.53) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6170764 0.79 PTGS2 (0.46) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6168997 0.78 PTGS2 (0.52) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6171539 0.78 PTGS2 (0.45) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6172166 0.78 PTGS2 (0.49) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6170629 0.77 PTGS2 (0.49) PTGS2MAPTMEN1ABCC4C5
SCHEMBL6171988 0.77 PTGS2 (0.46) PTGS2MAPTMEN1ABCC4C5
SCHEMBL27574874 0.77 MAPT (0.46) MAPTPOLBLMNAGAAALOX15

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