SCHEMBL23818760

SCHEMBL23818760

Cc1nc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)sc1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 7/20 1.00
▸ HSPA2 P54652 4/20 0.67
▸ HSPA9 P38646 2/20 0.67
▸ ALDH1A1 P00352 1/20 0.60
▸ RAB9A P51151 6/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ HSPA8 P11142 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ FFAR2 O15552 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
SCHEMBL23804610 0.86 HSPA5 (0.76) HSPA5HSPA2HSPA9RAB9AKMT2A
SCHEMBL23818455 0.82 HSPA5 (0.70) HSPA5HSPA2HSPA9ALDH1A1RAB9A
SCHEMBL23804616 0.80 HSPA5 (1.00) HSPA5HSPA2HSPA9ALDH1A1HTT
SCHEMBL23804614 0.80 HSPA5 (1.00) HSPA5HSPA2HSPA9ALDH1A1HTT
SCHEMBL23804612 0.80 HSPA5 (1.00) HSPA5HSPA2HSPA9ALDH1A1HTT
SCHEMBL23804601 0.79 HSPA5 (0.69) HSPA5HSPA2HSPA9ALDH1A1RAB9A
SCHEMBL23804598 0.79 HSPA5 (0.69) HSPA5HSPA2HSPA9ALDH1A1RAB9A
SCHEMBL13222393 0.73 HSPA5 (0.60) HSPA5HSPA2HSPA9ALDH1A1RAB9A
SCHEMBL3038955 0.73 HSPA5 (0.60) HSPA5HSPA2HSPA9ALDH1A1RAB9A
SCHEMBL23818757 0.72 CASP3 (0.66) HSPA5HSPA2HSPA9ALDH1A1RAB9A

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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