SCHEMBL29049062

SCHEMBL29049062

Nc1ccc(Oc2ncccc2-c2ccnc(NC3CCC(NC(=O)O)CC3)n2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 16/20 0.47
MAPK10 P53779 8/20 0.47
AURKB Q96GD4 3/20 0.42
TEK Q02763 1/20 0.40

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
SCHEMBL29633613 0.89 TEK (0.42) ERN1MAPK10AURKBTEK
SCHEMBL24435876 0.89 TEK (0.42) ERN1MAPK10AURKBTEK
SCHEMBL29633651 0.89 ERN1 (0.51) ERN1MAPK10AURKB
SCHEMBL24435934 0.89 ERN1 (0.51) ERN1MAPK10AURKB
SCHEMBL28557737 0.84 ERN1 (0.43) ERN1MAPK10AURKBTEK
SCHEMBL29049061 0.82 ERN1 (0.56) ERN1MAPK10AURKBTEK
SCHEMBL20497845 0.80 ERN1 (0.64) ERN1MAPK10
SCHEMBL20497840 0.80 ERN1 (0.64) ERN1MAPK10
SCHEMBL25071792 0.79 TEK (0.44) ERN1MAPK10TEK
SCHEMBL28566090 0.79 TEK (0.44) ERN1MAPK10TEK

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
CN-116583276-A IRE1 alpha inhibitors and uses thereof 加利福尼亚大学董事会 2023-08-11 CN disclosed