SCHEMBL6170629

SCHEMBL6170629

Cc1cnc(C(=O)c2[nH]c3cc(Cl)ccc3c2C(C)C(=O)O)cc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.49
MEN1 O00255 1/20 0.46
ABCC4 O15439 1/20 0.46
C5 P01031 1/20 0.46
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE4D Q08499 1/20 0.46
BCL2 P10415 2/20 0.40
MCL1 Q07820 2/20 0.40
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ENPP2 Q13822 1/20 0.39
MDM2 Q00987 2/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL6171197 0.91 PTGS2 (0.49) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6168798 0.89 PTGS2 (0.48) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170606 0.87 PTGS2 (0.48) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170637 0.86 PTGS2 (0.47) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6172832 0.84 PTGS2 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171300 0.83 PTGS2 (0.47) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6171988 0.83 PTGS2 (0.46) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6170519 0.83 PTGS2 (0.43) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6172780 0.82 PTGS2 (0.47) PTGS2MEN1ABCC4C5MAPT
SCHEMBL6172711 0.82 PTGS2 (0.46) PTGS2MEN1ABCC4C5MAPT

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