SCHEMBL19720564

SCHEMBL19720564

CO[C@@H]1CCN(C/C=C/C(=O)N=O)C1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A11 P48066 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
MCHR1 Q99705 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
SCHEMBL19720758 0.88
SCHEMBL16901707 0.84 SLC6A11 (0.36) SLC6A11PDCD1CD274MCHR1
SCHEMBL27412786 0.84 SLC6A11 (0.33) SLC6A11PDCD1CD274MCHR1
SCHEMBL19190098 0.84 SLC6A11 (0.36) SLC6A11PDCD1CD274MCHR1
SCHEMBL16901708 0.84 SLC6A11 (0.36) SLC6A11PDCD1CD274MCHR1
SCHEMBL27412918 0.81 PDCD1 (0.34) SLC6A11PDCD1CD274MCHR1
SCHEMBL19720551 0.81 CYP1A2 (0.34)
SCHEMBL19720549 0.79 FGFR2 (0.31)
SCHEMBL19720522 0.78
SCHEMBL20715377 0.75 SLC6A11 (0.39) SLC6A11

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-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 EP disclosed