SCHEMBL23966599

SCHEMBL23966599

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

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 9/20 0.51
SMN1; SMN2 Q16637 1/20 0.33
AKR1B1 P15121 5/20 0.33
MAPT P10636 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
SCHEMBL23966611 0.94 S1PR2 (0.53) S1PR2SMN1; SMN2AKR1B1MAPT
SCHEMBL23908867 0.92 S1PR2 (0.61) S1PR2SMN1; SMN2AKR1B1MAPT
SCHEMBL23966600 0.91 S1PR2 (0.54) S1PR2SMN1; SMN2AKR1B1MAPT
SCHEMBL23966648 0.91 S1PR2 (0.56) S1PR2SMN1; SMN2
SCHEMBL23966674 0.89 S1PR2 (0.51) S1PR2SMN1; SMN2AKR1B1
SCHEMBL23908880 0.86 S1PR2 (0.63) S1PR2SMN1; SMN2AKR1B1MAPT
SCHEMBL23966604 0.84 S1PR2 (0.54) S1PR2SMN1; SMN2MAPT
SCHEMBL23908794 0.84 S1PR2 (0.62) S1PR2SMN1; SMN2AKR1B1
SCHEMBL23908752 0.82 S1PR2 (0.65) S1PR2SMN1; SMN2AKR1B1
SCHEMBL23908913 0.82 S1PR2 (0.63) S1PR2SMN1; SMN2AKR1B1MAPT

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