SCHEMBL27451126

SCHEMBL27451126

O=C(CCC1CCC(=O)N1)Nc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 13/20 0.57
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ MEN1 O00255 3/20 0.57
▸ MAPT P10636 3/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ PKM P14618 2/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ NFKB1 P19838 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ NFKB2 Q00653 1/20 0.56
▸ CACNA1B Q00975 1/20 0.56
▸ APBA1 Q02410 1/20 0.56
▸ RELA Q04206 1/20 0.56
▸ PSMD14 O00487 1/20 0.55
▸ POLB P06746 1/20 0.53

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
SCHEMBL27453517 0.87 LMNA (0.48) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL27453518 0.82 RAB9A (0.43) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL27453515 0.81 PAX8 (0.50) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL27451116 0.77 RAB9A (0.77) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL10143930 0.77 RAB9A (0.73) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL7104840 0.77 MGLL (0.72) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL27452150 0.76 RAB9A (0.65) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL27451351 0.75 RAB9A (0.68) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL27451123 0.75 RAB9A (0.68) MGLLRAB9ANPC1MEN1MAPT
SCHEMBL27451824 0.75 MGLL (0.72) MGLLRAB9ANPC1MEN1MAPT

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
Send feedback