SCHEMBL23966577

SCHEMBL23966577

N#Cc1cc2c(cc1OCC(F)F)nc(Cc1nn(C(CN3CCC3)C(=O)O)c(=O)c3ccccc13)n2SF

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.38
CMA1 P23946 5/20 0.34
KCNH2 Q12809 1/20 0.31

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
SCHEMBL23914726 0.85 S1PR2 (0.35) S1PR2CMA1KCNH2
SCHEMBL23909038 0.83 S1PR2 (0.55) S1PR2CMA1KCNH2
SCHEMBL23966578 0.80 S1PR2 (0.44) S1PR2KCNH2
SCHEMBL23915490 0.80 S1PR2 (0.33) S1PR2
SCHEMBL23966551 0.79 S1PR2 (0.37) S1PR2
SCHEMBL23915489 0.79 S1PR2 (0.32) S1PR2
SCHEMBL23966827 0.78 S1PR2 (0.36) S1PR2
SCHEMBL23966573 0.77 BTK (0.35) S1PR2
SCHEMBL23915599 0.74 S1PR2 (0.36) S1PR2CMA1KCNH2
SCHEMBL23915601 0.73 S1PR2 (0.36) S1PR2CMA1KCNH2

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