SCHEMBL6171341

SCHEMBL6171341

Cc1nc(C(=O)c2[nH]c3ccc(Cl)cc3c2C(C)C(=O)O)c[nH]1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ABCC4 O15439 1/20 0.48
C5 P01031 1/20 0.48
PTGS1 P23219 1/20 0.48
PDE4D Q08499 1/20 0.48
SIRT1 Q96EB6 2/20 0.42
MAP2 P11137 4/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
F7 P08709 1/20 0.37
F3 P13726 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
SCHEMBL6170818 0.83 PTGS2 (0.48) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6172609 0.83 PTGS2 (0.48) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6171377 0.82 PTGS2 (0.49) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6171197 0.82 PTGS2 (0.49) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6173791 0.81 PTGS2 (0.51) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6173187 0.81 PTGS2 (0.51) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6170964 0.81 PTGS2 (0.48) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6169942 0.80 PTGS2 (0.52) PTGS2MAPTMEN1KMT2APTGS1
SCHEMBL6171521 0.79 PTGS2 (0.47) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6172409 0.78 PTGS2 (0.50) PTGS2MAPTMEN1KMT2AABCC4

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