SCHEMBL6172402

SCHEMBL6172402

Cc1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2C(C)C(=O)O)c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.48
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 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
LMNA P02545 4/20 0.39
THRB P10828 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAP2 P11137 3/20 0.39
EGFR P00533 1/20 0.38
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

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
SCHEMBL6172496 0.87 MAPT (0.48) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6173187 0.84 PTGS2 (0.51) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6172049 0.83 PTGS2 (0.47) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6171197 0.82 PTGS2 (0.49) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6172564 0.82 PTGS2 (0.45) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6172409 0.80 PTGS2 (0.50) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6169395 0.80 PTGS2 (0.53) PTGS2MAPTMEN1KMT2APTGS1
SCHEMBL6171073 0.80 KMT2A (0.49) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6173791 0.79 PTGS2 (0.51) PTGS2MAPTMEN1KMT2AABCC4
SCHEMBL6173617 0.79 MAPT (0.48) 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