SCHEMBL23966566

SCHEMBL23966566

CC(C)(C)OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2c(c1=O)CC=CC=C2

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.52
EGLN1 Q9GZT9 3/20 0.34
PGK1 P00558 1/20 0.30

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
SCHEMBL23915331 0.86 S1PR2 (0.55) S1PR2EGLN1PGK1
SCHEMBL23914855 0.82 S1PR2 (0.77) S1PR2
SCHEMBL23914706 0.79 S1PR2 (0.82) S1PR2EGLN1
SCHEMBL23915346 0.78 S1PR2 (0.55) S1PR2PGK1
SCHEMBL23915327 0.78 S1PR2 (0.54) S1PR2EGLN1PGK1
SCHEMBL23915330 0.76 S1PR2 (0.56) S1PR2
SCHEMBL23908751 0.76 S1PR2 (0.67) S1PR2EGLN1
SCHEMBL23914843 0.75 S1PR2 (0.54) S1PR2EGLN1PGK1
SCHEMBL23966889 0.75 S1PR2 (0.58) S1PR2EGLN1PGK1
SCHEMBL23915204 0.74 S1PR2 (0.77) S1PR2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed