SCHEMBL23818805

SCHEMBL23818805

Cc1nc(NC(=O)[C@@H](NC(=O)c2cc(-c3csc(NC(=O)[C@@H](NC(=O)c4cc5cc(N=[N+]=[N-])ccc5[nH]4)C(C)C)n3)cs2)C(C)C)sc1C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSPA2 P54652 3/20 0.48
▸ HSPA8 P11142 2/20 0.48
▸ HSPA5 P11021 4/20 0.46
▸ HSPA9 P38646 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ LMNA P02545 3/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ XIAP P98170 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FFAR2 O15552 1/20 0.32
▸ MRE11 P49959 1/20 0.32
▸ MAPT P10636 2/20 0.31

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
SCHEMBL23818456 0.94 HSPA8 (0.44) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL23804622 0.77 HSPA5 (0.70) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL23804625 0.77 HSPA5 (0.70) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL23818759 0.66 HSPA5 (0.63) HSPA2HSPA8HSPA5HSPA9SMN1; SMN2
SCHEMBL23818760 0.65 HSPA5 (1.00) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL23804600 0.61 HSPA5 (0.76) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL23804603 0.61 HSPA5 (0.76) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL23804620 0.60 HSPA5 (1.00) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL23804624 0.60 HSPA5 (1.00) HSPA2HSPA8HSPA5HSPA9ALDH1A1
SCHEMBL30492539 0.60 HTT (0.61) ALDH1A1SMN1; SMN2LMNAHTTKMT2A

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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