SCHEMBL23804610

SCHEMBL23804610

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

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSPA5 P11021 7/20 0.76
▸ RAB9A P51151 8/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ LMNA P02545 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ HSPA2 P54652 3/20 0.49
▸ HSPA9 P38646 1/20 0.49
▸ NPC1 O15118 6/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ HPGD P15428 2/20 0.48
▸ FFAR2 O15552 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ALOX15 P16050 1/20 0.46

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
SCHEMBL23818760 0.86 HSPA5 (1.00) HSPA5RAB9AMEN1KMT2APKM
SCHEMBL23804599 0.82 CASP3 (0.69) HSPA5RAB9AMEN1KMT2APKM
SCHEMBL23804615 0.80 HSPA5 (0.74) HSPA5LMNAHSPA2HSPA9SMN1; SMN2
SCHEMBL23804607 0.80 HSPA5 (0.74) HSPA5LMNAHSPA2HSPA9SMN1; SMN2
SCHEMBL23804619 0.77 KMT2A (0.54) RAB9AMEN1KMT2ALMNANPC1
SCHEMBL23804609 0.73 HSPA5 (0.49) HSPA5RAB9AMEN1KMT2APKM
SCHEMBL23804597 0.73 MAPT (0.47) HSPA5RAB9AMEN1KMT2ANPSR1
SCHEMBL13753488 0.71 RAB9A (0.62) HSPA5RAB9AMEN1KMT2ALMNA
SCHEMBL10253584 0.70 RAB9A (0.67) HSPA5RAB9AMEN1KMT2APKM
SCHEMBL19699520 0.70 RXFP1 (0.68) HSPA5RAB9AMEN1KMT2APKM

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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