SCHEMBL23804624

SCHEMBL23804624

CC(C)C(NC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1nccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 8/20 1.00
▸ HSPA9 P38646 5/20 1.00
▸ HSPA2 P54652 5/20 1.00
▸ HSPA8 P11142 3/20 1.00
▸ HTT P42858 3/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ HSPA1A P0DMV8 1/20 0.60
▸ TP53 P04637 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ LMNA P02545 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45

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
SCHEMBL23804620 1.00 HSPA5 (1.00) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804603 0.86 HSPA5 (0.76) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804600 0.86 HSPA5 (0.76) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23818463 0.84 HSPA5 (0.72) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL8558332 0.83 HSPA5 (0.71) HSPA5HSPA9HSPA2HSPA8SMN1; SMN2
SCHEMBL29904457 0.83 HSPA5 (0.71) HSPA5HSPA9HSPA2HSPA8SMN1; SMN2
SCHEMBL23804625 0.82 HSPA5 (0.70) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL23804622 0.82 HSPA5 (0.70) HSPA5HSPA9HSPA2HSPA8HTT
SCHEMBL6446972 0.76 HSPA5 (0.60) HSPA5HSPA9HSPA2HSPA8SMN1; SMN2
SCHEMBL6446970 0.76 HSPA5 (0.60) HSPA5HSPA9HSPA2HSPA8SMN1; 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 2 patents. 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
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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