SCHEMBL6172409

SCHEMBL6172409

CC(C)c1ccnc(C(=O)c2[nH]c3ccc(Cl)cc3c2C(C)C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 6/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ABCC4 O15439 1/20 0.50
C5 P01031 1/20 0.50
MAPT P10636 1/20 0.50
PDE4D Q08499 1/20 0.50
SIRT1 Q96EB6 1/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
MAP2 P11137 3/20 0.38
KDM4C Q9H3R0 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
SCHEMBL6171300 0.92 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6173187 0.91 PTGS2 (0.51) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6175111 0.86 PTGS2 (0.48) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6168568 0.86 PTGS2 (0.46) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6171752 0.86 PTGS2 (0.49) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6169472 0.86 PTGS2 (0.48) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL7203427 0.85 PTGS2 (0.42) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6172780 0.84 PTGS2 (0.47) PTGS2PTGS1MEN1KMT2AABCC4
SCHEMBL6172560 0.84 PTGS2 (0.50) PTGS2PTGS1KDM4E
SCHEMBL6171454 0.84 PTGS2 (0.44) PTGS2PTGS1MEN1KMT2AABCC4

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