SCHEMBL23804607

SCHEMBL23804607

C[C@H](NC(=O)c1cccs1)[C@H](C)C(=O)Nc1nccs1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 12/20 0.74
HSPA2 P54652 4/20 0.74
HSPA9 P38646 4/20 0.74
HSPA1A P0DMV8 1/20 0.64
LMNA P02545 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.50
HSPA8 P11142 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL23804615 1.00 HSPA5 (0.74) HSPA5HSPA2HSPA9HSPA1ALMNA
SCHEMBL23804606 0.88 HSPA5 (0.78) HSPA5HSPA2HSPA9HSPA1ALMNA
SCHEMBL23804614 0.85 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1AHSPA8
SCHEMBL23804616 0.85 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1AHSPA8
SCHEMBL23804612 0.85 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1AHSPA8
SCHEMBL23804621 0.82 HSPA5 (0.65) HSPA5HSPA2HSPA9HSPA1ALMNA
SCHEMBL23818887 0.82 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ALMNA
SCHEMBL23804623 0.82 HSPA5 (0.72) HSPA5HSPA2HSPA9HSPA1ALMNA
SCHEMBL23818889 0.81 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1AHSPA8
SCHEMBL23818761 0.81 HSPA5 (0.68) HSPA5HSPA2HSPA9HSPA1ALMNA

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-2021183942-A1 INHIBITORS OF HSP70 PROTEINS ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2021-09-16 WO disclosed