SCHEMBL27451276

SCHEMBL27451276

O=C(CCN1C(=O)CCC1=O)Nc1ccc(-c2nc3ccccc3s2)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 9/20 0.54
▸ NPC1 O15118 8/20 0.54
▸ ALDH1A1 P00352 7/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ HPGD P15428 5/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ TP53 P04637 2/20 0.54
▸ HSD17B10 Q99714 2/20 0.54
▸ ADRB2 P07550 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ KMT2A Q03164 8/20 0.52
▸ MAPT P10636 8/20 0.52
▸ MEN1 O00255 7/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ ADORA2A P29274 1/20 0.49
▸ PSMD14 O00487 4/20 0.48
▸ ATM Q13315 1/20 0.47
▸ POLB P06746 4/20 0.47
▸ PTPN22 Q9Y2R2 3/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47

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
SCHEMBL27453397 0.94 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27453308 0.93 ALDH1A1 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27451116 0.81 RAB9A (0.77) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27453518 0.78 RAB9A (0.43) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL31050188 0.78 NPC1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL31050189 0.78 NPC1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27451505 0.78 NPC1 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27451640 0.77 NPC1 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL27452421 0.77 MAPT (0.48) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL27453512 0.76 MAPT (0.47) RAB9ANPC1ALDH1A1SMN1; SMN2KDM4E

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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