SCHEMBL23818767

SCHEMBL23818767

CC(C)[C@H](NC(=O)c1ccc(-c2csc(NC(=O)[C@@H](NC(=O)c3cccs3)C(C)C)n2)cc1)C(=O)Nc1nc(-c2ccc3c(c2)OC(=O)C(C(=O)N[C@H](C(=O)Nc2nccs2)C(C)C)C3)cs1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 12/20 0.53
▸ HSPA2 P54652 5/20 0.53
▸ HSPA9 P38646 5/20 0.53
▸ HTT P42858 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ HSPA1A P0DMV8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HSPA8 P11142 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL23818888 0.85 HSPA5 (0.53) HSPA5HSPA2HSPA9HTTTP53
SCHEMBL23818457 0.80 HSPA5 (0.48) HSPA5HSPA2HSPA9HTTTP53
SCHEMBL23804612 0.72 HSPA5 (1.00) HSPA5HSPA2HSPA9HTTTP53
SCHEMBL23804614 0.72 HSPA5 (1.00) HSPA5HSPA2HSPA9HTTTP53
SCHEMBL23804616 0.72 HSPA5 (1.00) HSPA5HSPA2HSPA9HTTTP53
SCHEMBL21224486 0.66 HTT (0.74) HSPA5HSPA9HTTL3MBTL1ALDH1A1
SCHEMBL21224485 0.66 HTT (0.74) HSPA5HSPA9HTTL3MBTL1ALDH1A1
SCHEMBL23818889 0.64 HSPA5 (1.00) HSPA5HSPA2HSPA9HTTTP53
SCHEMBL23804606 0.64 HSPA5 (0.78) HSPA5HSPA2HSPA9HTTHSPA1A
SCHEMBL23804607 0.62 HSPA5 (0.74) HSPA5HSPA2HSPA9HTTHSPA1A

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
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