SCHEMBL23804598

SCHEMBL23804598

CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nncs1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 10/20 0.69
▸ HSPA2 P54652 3/20 0.69
▸ HSPA9 P38646 3/20 0.69
▸ ALDH1A1 P00352 1/20 0.59
▸ FFAR2 O15552 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ HTT P42858 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ ESR2 Q92731 1/20 0.46
▸ HSPA8 P11142 1/20 0.46
▸ LMNA P02545 1/20 0.46

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
SCHEMBL23804601 1.00 HSPA5 (0.69) HSPA5HSPA2HSPA9ALDH1A1FFAR2
SCHEMBL23804614 0.82 HSPA5 (1.00) HSPA5HSPA2HSPA9ALDH1A1SMN1; SMN2
SCHEMBL23804616 0.82 HSPA5 (1.00) HSPA5HSPA2HSPA9ALDH1A1SMN1; SMN2
SCHEMBL23804612 0.82 HSPA5 (1.00) HSPA5HSPA2HSPA9ALDH1A1SMN1; SMN2
SCHEMBL23818760 0.79 HSPA5 (1.00) HSPA5HSPA2HSPA9ALDH1A1FFAR2
SCHEMBL23818455 0.77 HSPA5 (0.70) HSPA5HSPA2HSPA9ALDH1A1FFAR2
SCHEMBL3038955 0.75 HSPA5 (0.60) HSPA5HSPA2HSPA9ALDH1A1NPC1
SCHEMBL13222393 0.75 HSPA5 (0.60) HSPA5HSPA2HSPA9ALDH1A1NPC1
SCHEMBL11189117 0.73 MEN1 (0.53) POLBLMNA
SCHEMBL11189108 0.73 MEN1 (0.53) POLBLMNA

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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