SCHEMBL27451824

SCHEMBL27451824

O=C(CC1CCCC1)Nc1ccc(-c2nc3ccccc3s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 15/20 0.72
▸ KDM4E B2RXH2 3/20 0.66
▸ RAB9A P51151 3/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ NPC1 O15118 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ ALDH1A1 P00352 2/20 0.61
▸ PKM P14618 2/20 0.61
▸ POLB P06746 1/20 0.61
▸ GAA P10253 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ MMP2 P08253 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ MMP8 P22894 1/20 0.59
▸ MMP13 P45452 1/20 0.59
▸ MAPT P10636 1/20 0.58
▸ HPGD P15428 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ HTT P42858 1/20 0.58

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
Hydrochloric Acid SCHEMBL7106247 0.97 MGLL (0.67) MGLLKDM4ERAB9AMEN1NPC1
SCHEMBL27451200 0.85 NPC1 (0.68) KDM4ERAB9AMEN1NPC1KMT2A
SCHEMBL27451419 0.84 MGLL (0.54) MGLLKDM4ERAB9AMEN1NPC1
SCHEMBL12727648 0.81 MGLL (0.72) MGLLKDM4ERAB9AMEN1NPC1
SCHEMBL7110254 0.81 MGLL (0.72) MGLLKDM4ERAB9AMEN1NPC1
SCHEMBL2248424 0.81 RAB9A (0.78) MGLLKDM4ERAB9AMEN1NPC1
SCHEMBL7104840 0.81 MGLL (0.72) MGLLKDM4ERAB9AMEN1NPC1
SCHEMBL7107437 0.80 FAAH (0.67) MGLLKDM4ERAB9AMEN1NPC1
SCHEMBL2243918 0.80 FAAH (0.69) MGLLKDM4ERAB9AMEN1NPC1
Hydrochloric Acid SCHEMBL7108023 0.80 MGLL (0.70) MGLLKDM4ERAB9AMEN1NPC1

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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