SCHEMBL23966649

SCHEMBL23966649

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.59
GLA P06280 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL23908752 0.95 S1PR2 (0.65) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23966675 0.93 S1PR2 (0.54) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23966600 0.90 S1PR2 (0.54) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23966648 0.90 S1PR2 (0.56) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23908791 0.89 S1PR2 (0.60) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23908794 0.88 S1PR2 (0.62) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23908880 0.88 S1PR2 (0.63) S1PR2GLASMN1; SMN2
SCHEMBL23909007 0.87 S1PR2 (0.59) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23908862 0.86 S1PR2 (0.62) S1PR2GLAMEN1KMT2ATP53
SCHEMBL23909089 0.86 S1PR2 (0.78) 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