SCHEMBL29633607

SCHEMBL29633607

NC1CCC(Nc2nccc(-c3cccnc3Oc3ccc(NS(=O)(=O)CC(F)(F)F)c(F)c3)n2)CC1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 20/20 0.52
MAPK10 P53779 9/20 0.52

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
SCHEMBL24435785 1.00 ERN1 (0.52) ERN1MAPK10
SCHEMBL24435821 1.00 ERN1 (0.52) ERN1MAPK10
SCHEMBL24435930 0.93 ERN1 (0.54) ERN1MAPK10
SCHEMBL29633594 0.93 ERN1 (0.54) ERN1MAPK10
SCHEMBL24435789 0.92 ERN1 (0.53) ERN1MAPK10
SCHEMBL24439288 0.85 ERN1 (0.47) ERN1MAPK10
SCHEMBL24435877 0.84 ERN1 (0.43) ERN1MAPK10
SCHEMBL24435934 0.81 ERN1 (0.51) ERN1MAPK10
SCHEMBL29633651 0.81 ERN1 (0.51) ERN1MAPK10
SCHEMBL25072021 0.81 ERN1 (0.69) ERN1MAPK10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4243815-A1 IRE1ALPHA INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2023-09-20 EP disclosed
WO-2022104151-A1 IRE1ALPHA INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-05-19 WO disclosed