SCHEMBL23966604

SCHEMBL23966604

C=CCC(F)COc1cc2nc(Cc3nn(CC(=O)N4C[C@H](O)[C@@H](O)C4)c(=O)c4ccccc34)[nH]c2cc1C#N

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 12/20 0.54
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL23966553 0.93 S1PR2 (0.52) S1PR2KDM4EHSD17B10POLBMAPT
SCHEMBL23908878 0.92 S1PR2 (0.64) S1PR2KDM4EHSD17B10POLBMAPT
SCHEMBL23966895 0.88 S1PR2 (0.48) S1PR2KDM4EHSD17B10POLB
SCHEMBL23966648 0.87 S1PR2 (0.56) S1PR2SMN1; SMN2GAA
SCHEMBL23966611 0.86 S1PR2 (0.53) S1PR2MAPTSMN1; SMN2
SCHEMBL23966599 0.84 S1PR2 (0.51) S1PR2MAPTSMN1; SMN2
SCHEMBL23908730 0.84 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBMAPT
SCHEMBL23966606 0.84 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBMAPT
SCHEMBL23909046 0.84 S1PR2 (0.61) S1PR2KDM4EHSD17B10POLBMAPT
SCHEMBL23966618 0.84 S1PR2 (0.52) S1PR2KDM4ESMN1; SMN2

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