SCHEMBL23966595

SCHEMBL23966595

CC(F)COc1cc2nc(Cc3nn(CC(=O)N4CCOC(C)(C)C4)c(=O)c4ccccc34)[nH]c2cc1C#N

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.56
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GRIN2B Q13224 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 2/20 0.32
CNR2 P34972 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
SCHEMBL23909012 0.96 S1PR2 (0.58) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23908986 0.87 S1PR2 (0.61) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23914585 0.86 S1PR2 (0.68) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23908803 0.86 S1PR2 (0.59) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23966605 0.85 S1PR2 (0.55) S1PR2MAPTPOLBKDM4EHSD17B10
SCHEMBL23908790 0.85 S1PR2 (0.61) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23908729 0.84 S1PR2 (0.60) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23966623 0.84 S1PR2 (0.54) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23908890 0.84 S1PR2 (0.66) S1PR2MAPTSMN1; SMN2POLBKDM4E
SCHEMBL23966649 0.82 S1PR2 (0.59) S1PR2SMN1; SMN2GAATP53

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