SCHEMBL23804609

SCHEMBL23804609

C[C@H](NC(=O)c1cccs1)[C@H](C)C(=O)Nc1ncco1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 10/20 0.49
▸ HSPA2 P54652 4/20 0.49
▸ HSPA9 P38646 2/20 0.49
▸ RAB9A P51151 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ FFAR2 O15552 1/20 0.44
▸ NPC1 O15118 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HSPA1A P0DMV8 1/20 0.42

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
SCHEMBL23804607 0.80 HSPA5 (0.74) HSPA5HSPA2HSPA9SMN1; SMN2HSPA1A
SCHEMBL23804615 0.80 HSPA5 (0.74) HSPA5HSPA2HSPA9SMN1; SMN2HSPA1A
SCHEMBL23804597 0.77 MAPT (0.47) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL23804619 0.77 KMT2A (0.54) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL23804610 0.73 HSPA5 (0.76) HSPA5HSPA2HSPA9RAB9AFFAR2
SCHEMBL13753488 0.71 RAB9A (0.62) HSPA5HSPA2HSPA9RAB9AALDH1A1
SCHEMBL23804599 0.71 CASP3 (0.69) HSPA5RAB9AALDH1A1FFAR2NPC1
SCHEMBL13024156 0.70 FFAR2 (0.58) RAB9AALDH1A1FFAR2NPC1
SCHEMBL12376694 0.68 RAB9A (0.66) RAB9AALDH1A1NPC1SMN1; SMN2MEN1
SCHEMBL23804606 0.68 HSPA5 (0.78) HSPA5HSPA2HSPA9SMN1; SMN2MEN1

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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