SCHEMBL19954949

SCHEMBL19954949

N=C(N)N1CCC[C@H](CC(=O)N[C@@H](Cc2ccc(C#Cc3ccccc3)cc2)C(=O)NCCS)C1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IL2RA P01589 1/20 0.74
ALB P02768 1/20 0.74
IL2 P60568 1/20 0.74
F2 P00734 12/20 0.48
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47
YAP1 P46937 2/20 0.42
PRSS1 P07477 2/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41

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
SCHEMBL20761277 0.95 IL2RA (0.71) IL2RAALBIL2F2ITGB1
SCHEMBL15159835 0.92 IL2RA (0.77) IL2RAALBIL2F2ITGB1
SCHEMBL4323694 0.88 IL2RA (0.84) IL2RAALBIL2F2ITGB1
SCHEMBL4323700 0.88 IL2RA (0.84) IL2RAALBIL2F2ITGB1
SCHEMBL4323684 0.88 IL2RA (0.84) IL2RAALBIL2F2ITGB1
SCHEMBL4993522 0.88 IL2RA (0.84) IL2RAALBIL2F2ITGB1
SCHEMBL14136720 0.85 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL6860593 0.85 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL14136732 0.85 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL6860596 0.85 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4

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
US-9913826-B2 Compounds and compositions that bind and stabilize transthyretin and their use for inhibiting transthyretin amyloidosis and protein-protein interactions THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2018-03-13 US disclosed