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SCHEMBL20431121

SCHEMBL20431121

Cc1nc(-c2ccc3c(c2)OC(F)(F)O3)c(-c2cccc(-c3cccc(S(C)(=O)=O)c3)c2)o1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.51
▸ PTGS1 P23219 8/20 0.47
▸ NR1H2 P55055 5/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ NOTUM Q6P988 1/20 0.36
▸ SCN9A Q15858 1/20 0.36

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
SCHEMBL18157694 0.83 PTGS2 (0.39) PTGS2PTGS1NR1H2KIF11NR1H3
SCHEMBL18157605 0.83 PTGS2 (0.39) PTGS2PTGS1NR1H2KIF11NR1H3
SCHEMBL18125847 0.82 PTGS2 (0.40) PTGS2PTGS1NR1H2NR1H3
SCHEMBL16126355 0.82 PTGS2 (0.36) PTGS2PTGS1NR1H2NR1H3
SCHEMBL16126392 0.81 NR1H2 (0.42) PTGS2PTGS1NR1H2NR1H3
SCHEMBL16083610 0.81 NR1H2 (0.39) PTGS2PTGS1NR1H2NR1H3
SCHEMBL16126263 0.81 NR1H2 (0.42) PTGS2PTGS1NR1H2NR1H3
SCHEMBL18125851 0.81 PTGS2 (0.38) PTGS2PTGS1NR1H2NR1H3
SCHEMBL16083580 0.81 NR1H2 (0.45) PTGS2PTGS1NR1H2NR1H3
SCHEMBL16083382 0.81 NR1H2 (0.45) PTGS2PTGS1NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2967073-B9 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-04-10 — — EP disclosed
EP-2967073-B1 LXR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-08-01 — — EP disclosed
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