SCHEMBL7203012

SCHEMBL7203012

CC(O[Si](C)(C)C(C)(C)C)c1ccnc(C(=O)c2[nH]c3cc(Cl)ccc3c2C(C)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.42
PTGS1 P23219 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC4 O15439 1/20 0.42
C5 P01031 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE4D Q08499 1/20 0.42
MDM2 Q00987 6/20 0.38
KDM4C Q9H3R0 1/20 0.34

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
SCHEMBL6176550 0.85 PTGS2 (0.55) PTGS2PTGS1
SCHEMBL6171300 0.85 PTGS2 (0.47) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6172780 0.84 PTGS2 (0.47) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL7201017 0.84 MDM2 (0.39) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6170606 0.83 PTGS2 (0.48) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL7201012 0.82 PTGS2 (0.40) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6170841 0.82 PTGS2 (0.44) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6170598 0.80 PTGS2 (0.48) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL6172409 0.80 PTGS2 (0.50) PTGS2PTGS1MEN1ABCC4C5
SCHEMBL7203429 0.79 PTGS2 (0.40) PTGS2PTGS1MEN1ABCC4C5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608070-B1 Useful for treatment of medical condition in which prostaglandins are implicated as pathogens NAKAO KAZUNARI (JP) 2003-08-19 US disclosed