SCHEMBL23818457

SCHEMBL23818457

C=C(C)[C@H](NC(=O)C1Cc2ccc(-c3csc(NC(=O)[C@@H](NC(=O)c4ccccc4)C(C)C)n3)cc2OC1=O)C(=O)Nc1nc(-c2ccc3[nH]c(C(=O)N[C@H](C(=O)Nc4nccs4)C(C)C)cc3c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 7/20 0.48
▸ HSPA9 P38646 4/20 0.48
▸ HSPA2 P54652 3/20 0.48
▸ HSPA8 P11142 2/20 0.48
▸ HTT P42858 3/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 4/20 0.38
▸ HSPA1A P0DMV8 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ RRM1 P23921 1/20 0.34
▸ RRM2B Q7LG56 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33

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 0.94 HSPA5 (0.53) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23818767 0.80 HSPA5 (0.53) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804603 0.69 HSPA5 (0.76) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804600 0.69 HSPA5 (0.76) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23818463 0.69 HSPA5 (0.72) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804620 0.69 HSPA5 (1.00) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804624 0.69 HSPA5 (1.00) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23818768 0.66 HSPA5 (0.53) HSPA5HSPA9HSPA2HSPA8
SCHEMBL21224485 0.64 HTT (0.74) HSPA5HSPA9HTTL3MBTL1SMN1; SMN2
SCHEMBL21224486 0.64 HTT (0.74) HSPA5HSPA9HTTL3MBTL1SMN1; SMN2

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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