SCHEMBL23966623

SCHEMBL23966623

CCSC1CCN(C(=O)Cn2nc(Cc3nc4cc(OCC(C)F)c(C#N)cc4[nH]3)c3ccccc3c2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.54
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL23966605 0.89 S1PR2 (0.55) S1PR2KDM4EHSD17B10NPSR1MAPT
SCHEMBL23908736 0.86 S1PR2 (0.61) S1PR2KDM4EHSD17B10NPSR1MAPT
SCHEMBL23908826 0.86 S1PR2 (0.58) S1PR2KDM4EHSD17B10NPSR1MAPT
SCHEMBL23908894 0.85 S1PR2 (0.58) S1PR2KDM4EHSD17B10NPSR1MAPT
SCHEMBL23966898 0.85 S1PR2 (0.52) S1PR2KDM4EHSD17B10POLB
SCHEMBL23909046 0.85 S1PR2 (0.61) S1PR2KDM4EHSD17B10NPSR1MAPT
SCHEMBL23908871 0.84 S1PR2 (0.60) S1PR2KDM4EHSD17B10NPSR1MAPT
SCHEMBL23908790 0.84 S1PR2 (0.61) S1PR2KDM4EHSD17B10MAPTTP53
SCHEMBL23914585 0.84 S1PR2 (0.68) S1PR2KDM4EHSD17B10NPSR1MAPT
SCHEMBL23908816 0.84 S1PR2 (0.58) S1PR2KDM4EHSD17B10NPSR1MAPT

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