SCHEMBL23818454

SCHEMBL23818454

CCC(C)[C@H](NC(=O)c1cc(-c2csc(NC(=O)[C@H](CC(C)C)NC(=O)c3cccs3)n2)cs1)C(=O)Nc1nc(-c2csc(C(=O)N[C@@H](Cc3ccccc3)C(=O)Nc3nccs3)c2)cs1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 10/20 0.61
▸ HSPA2 P54652 4/20 0.61
▸ HSPA9 P38646 3/20 0.59
▸ HSPA1A P0DMV8 1/20 0.59
▸ AGTR2 P50052 1/20 0.46
▸ CTSL P07711 1/20 0.44
▸ KMT2A Q03164 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PIN1 Q13526 1/20 0.42
▸ GPR142 Q7Z601 1/20 0.42
▸ PSMB11 A5LHX3 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
SCHEMBL23818759 0.83 HSPA5 (0.63) HSPA5HSPA2HSPA9HSPA1AAGTR2
SCHEMBL23818768 0.80 HSPA5 (0.53) HSPA5HSPA2HSPA9AGTR2CTSL
SCHEMBL23818889 0.78 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1AAGTR2
SCHEMBL23804617 0.77 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ACTSL
SCHEMBL23804618 0.77 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ACTSL
SCHEMBL23818887 0.77 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ATSHR
SCHEMBL23804616 0.69 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ATP53
SCHEMBL23804612 0.69 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ATP53
SCHEMBL23804614 0.69 HSPA5 (1.00) HSPA5HSPA2HSPA9HSPA1ATP53
SCHEMBL21241768 0.68 SCD (0.60) CTSLKMT2AMEN1MAPTKDM4E

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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