SCHEMBL23818781

SCHEMBL23818781

CC(=O)c1ccc2[nH]c(CNC(C(=O)Nc3nccs3)C(C)C)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 8/20 0.52
▸ HSPA9 P38646 5/20 0.52
▸ HSPA2 P54652 4/20 0.52
▸ HSPA8 P11142 2/20 0.52
▸ HTT P42858 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HSPA1A P0DMV8 1/20 0.42
▸ LMNA P02545 3/20 0.41
▸ XBP1 P17861 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.40
▸ FFAR2 O15552 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 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
SCHEMBL23804603 0.83 HSPA5 (0.76) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804600 0.83 HSPA5 (0.76) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804624 0.69 HSPA5 (1.00) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804620 0.69 HSPA5 (1.00) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804625 0.67 HSPA5 (0.70) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804622 0.67 HSPA5 (0.70) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL31105660 0.64 GLA (0.58) HSPA5HSPA9HSPA2HSPA8TP53
SCHEMBL1107000 0.63 ADORA2A (0.68) HSPA5HSPA9HSPA2HTTLMNA
SCHEMBL3525492 0.63 MTNR1A (0.50) HTTSMN1; SMN2LMNA
SCHEMBL5413640 0.63 RAB9A (0.63) L3MBTL1SMN1; SMN2LMNAMEN1KMT2A

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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