SCHEMBL23804597

SCHEMBL23804597

C[C@H](NC(=O)c1cccs1)[C@H](C)C(=O)Nc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.47
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ SCD O00767 1/20 0.44
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HPGD P15428 4/20 0.42
▸ HSPA5 P11021 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSPA9 P38646 1/20 0.42
▸ HSPA2 P54652 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL23804599 0.77 CASP3 (0.69) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL23804609 0.77 HSPA5 (0.49) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL23804619 0.77 KMT2A (0.54) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL9891923 0.75 KDM4E (0.59) MAPTKMT2AMEN1SCDRAB9A
SCHEMBL23804607 0.73 HSPA5 (0.74) SMN1; SMN2HSPA5HSPA9HSPA2
SCHEMBL23804615 0.73 HSPA5 (0.74) SMN1; SMN2HSPA5HSPA9HSPA2
SCHEMBL23804610 0.73 HSPA5 (0.76) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL13753488 0.72 RAB9A (0.62) MAPTKMT2AMEN1RAB9ANPC1
SCHEMBL11410245 0.68 SCD (0.60) MAPTKMT2AMEN1SCDRAB9A
SCHEMBL4477605 0.68 RAB9A (0.61) MAPTKMT2AMEN1SCDRAB9A

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
Send feedback