SCHEMBL21763340

SCHEMBL21763340

O=Cc1c(O)ccc2cc(-c3cccs3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 20/20 0.61

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
SCHEMBL29946531 1.00 ERN1 (0.61) ERN1
SCHEMBL13639937 0.78 ERN1 (0.76) ERN1
SCHEMBL21763673 0.78 ERN1 (0.70) ERN1
SCHEMBL21763550 0.78 ERN1 (0.70) ERN1
SCHEMBL4487723 0.78 ERN1 (0.50) ERN1
SCHEMBL12277536 0.77 PGR (0.54) ERN1
SCHEMBL2762231 0.76 ERN1 (1.00) ERN1
SCHEMBL12767134 0.76 ERN1 (1.00) ERN1
SCHEMBL21763593 0.76 ERN1 (0.61) ERN1
SCHEMBL12767176 0.75 ERN1 (1.00) ERN1

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-2496230-B1 IRE-1 ALPHA INHIBITORS FOSUN ORINOVE PHARMATECH INC (CN) 2020-02-26 EP disclosed