SCHEMBL27451419

SCHEMBL27451419

O=C(Cc1ccc2sc(-c3ccc(NC(=O)CC4CCCC4)cc3)nc2c1)NCCCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 12/20 0.54
▸ MAPT P10636 4/20 0.50
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ HPGD P15428 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ PSMD14 O00487 1/20 0.46
▸ POLB P06746 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
SCHEMBL27451824 0.84 MGLL (0.72) MGLLMAPTRAB9ANPC1MEN1
Hydrochloric Acid SCHEMBL7106247 0.81 MGLL (0.67) MGLLMAPTRAB9ANPC1MEN1
SCHEMBL27451280 0.78 MAPT (0.66) MGLLMAPTRAB9ANPC1MEN1
SCHEMBL31050187 0.78 MAPT (0.66) MGLLMAPTRAB9ANPC1MEN1
SCHEMBL27451638 0.77 MAPT (0.64) MGLLMAPTRAB9ANPC1MEN1
SCHEMBL27451279 0.74 MAPT (0.58) MGLLMAPTRAB9ANPC1MEN1
SCHEMBL27452355 0.74 MAPT (0.63) MGLLMAPTRAB9ANPC1MEN1
SCHEMBL27451200 0.73 NPC1 (0.68) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL3580954 0.72 RAB9A (0.65) MGLLMAPTRAB9ANPC1MEN1
SCHEMBL27451134 0.72 MAPT (0.65) MGLLMAPTRAB9ANPC1MEN1

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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