SCHEMBL23804617

SCHEMBL23804617

O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nccs1)c1cccs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 10/20 1.00
▸ HSPA2 P54652 4/20 1.00
▸ HSPA9 P38646 3/20 1.00
▸ HSPA1A P0DMV8 1/20 1.00
▸ CTSL P07711 1/20 0.60
▸ PIN1 Q13526 1/20 0.57
▸ PKM P14618 1/20 0.55
▸ USP30 Q70CQ3 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ XBP1 P17861 1/20 0.48

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
SCHEMBL23804618 1.00 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ACTSL
SCHEMBL23818887 0.84 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ALMNA
SCHEMBL23804606 0.80 HSPA5 (0.78) HSPA5HSPA2HSPA9HSPA1ALMNA
SCHEMBL10654990 0.79 CTSL (0.68) HSPA5HSPA2HSPA9HSPA1ACTSL
SCHEMBL10654984 0.79 CTSL (0.68) HSPA5HSPA2HSPA9HSPA1ACTSL
SCHEMBL16993880 0.78 HSPA5 (0.64) HSPA5HSPA2HSPA9HSPA1ACTSL
SCHEMBL16999340 0.78 HSPA5 (0.64) HSPA5HSPA2HSPA9HSPA1ACTSL
SCHEMBL26502086 0.78 PKM (0.65) HSPA5HSPA2HSPA9HSPA1APKM
SCHEMBL23804612 0.78 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1A
SCHEMBL23804615 0.78 HSPA5 (0.74) HSPA5HSPA2HSPA9HSPA1ALMNA

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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