SCHEMBL20868761

SCHEMBL20868761

CNc1ccc(-n2ncnc2[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)c(F)c(F)c4)nn3)[C@H]2OC)cc1S

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ LGALS3 P17931 20/20 0.77

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
SCHEMBL20868754 0.87 LGALS3 (1.00) LGALS3
SCHEMBL20868753 0.86 LGALS3 (1.00) LGALS3
SCHEMBL20856607 0.85 LGALS3 (0.86) LGALS3
SCHEMBL20868450 0.85 LGALS3 (0.72) LGALS3
SCHEMBL20868673 0.84 LGALS3 (0.71) LGALS3
SCHEMBL20868764 0.84 LGALS3 (1.00) LGALS3
SCHEMBL23374277 0.83 LGALS3 (0.88) LGALS3
SCHEMBL20868716 0.80 LGALS3 (1.00) LGALS3
SCHEMBL20935685 0.79 LGALS3 (1.00) LGALS3
SCHEMBL20935509 0.78 LGALS3 (1.00) LGALS3

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
WO-2019067702-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-04 — — WO disclosed
Send feedback