SCHEMBL27452585

SCHEMBL27452585

O=C(CCCN1C(=O)CCC1=O)NCc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.58
▸ NPC1 O15118 6/20 0.58
▸ SMN1; SMN2 Q16637 6/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ KDM4E B2RXH2 5/20 0.58
▸ MAPT P10636 4/20 0.58
▸ HPGD P15428 5/20 0.53
▸ LMNA P02545 2/20 0.53
▸ POLB P06746 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ PSMD14 O00487 1/20 0.52
▸ KMT2A Q03164 5/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ PKM P14618 1/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPK1 P28482 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ MGLL Q99685 1/20 0.50

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
SCHEMBL27452781 0.87 RAB9A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27451123 0.87 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27453018 0.81 PAX8 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27451708 0.81 KMT2A (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27451116 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27452720 0.79 RAB9A (0.77) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27451204 0.78 KMT2A (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27452496 0.78 ADORA2A (0.65) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27452583 0.78 HPGD (0.57) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL27451960 0.77 PAX8 (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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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