SCHEMBL27453018

SCHEMBL27453018

CN(C(=O)CCCN1C(=O)CCC1=O)c1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.53
▸ NPC1 O15118 7/20 0.51
▸ RAB9A P51151 7/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ PKM P14618 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ APP P05067 1/20 0.50
▸ HPGD P15428 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ KDM4E B2RXH2 5/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TP53 P04637 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ PSMD14 O00487 1/20 0.45

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
SCHEMBL27451960 0.94 PAX8 (0.54) PAX8NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27453023 0.87 APP (0.43) PAX8NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27453398 0.87 HPGD (0.54) PAX8NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27452585 0.81 RAB9A (0.58) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL27451123 0.80 RAB9A (0.68) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL27453020 0.79 RAB9A (0.60) PAX8NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27453515 0.76 PAX8 (0.50) PAX8NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27451708 0.76 KMT2A (0.53) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL27451116 0.76 RAB9A (0.77) NPC1RAB9AKMT2ASMN1; SMN2PKM
SCHEMBL27451204 0.73 KMT2A (0.55) NPC1RAB9AKMT2ASMN1; SMN2PKM

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-2024145662-A1 2-SUBSTITUTED THIAZOLE AND BENZOTHIAZOLE COMPOSITIONS AND METHODS AS DUX4 INHIBITORS ALTAY THERAPEUTICS, INC. (US) 2024-07-04 — — WO disclosed
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