SCHEMBL27452647

SCHEMBL27452647

O=C1CCC(=O)N1[C@H]1C[C@H](C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.58
▸ EPHX2 P34913 1/20 0.58
▸ MMP2 P08253 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ MMP8 P22894 1/20 0.54
▸ MMP13 P45452 1/20 0.54
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ MGLL Q99685 11/20 0.52
▸ MEN1 O00255 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KCNK2 O95069 1/20 0.49
▸ KCNK4 Q9NYG8 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48

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
SCHEMBL27452587 0.93 FAAH (0.58) FAAHEPHX2MMP2MMP9MMP8
SCHEMBL2243918 0.82 FAAH (0.69) FAAHEPHX2MMP2MMP9MMP8
SCHEMBL7107437 0.80 FAAH (0.67) FAAHEPHX2MMP2MMP9MMP8
SCHEMBL27452503 0.80 TP53 (0.58) FAAHEPHX2MMP2MMP9MMP8
SCHEMBL27452500 0.76 KCNK2 (0.59) FAAHEPHX2MMP2MMP9MMP8
SCHEMBL27451116 0.75 RAB9A (0.77) MMP2MMP9MMP8MMP13NPC1
SCHEMBL20379246 0.73 MMP2 (0.78) MMP2MMP9MMP8MMP13NPC1
SCHEMBL27451123 0.73 RAB9A (0.68) NPC1RAB9AKMT2APKMSMN1; SMN2
SCHEMBL27452652 0.73 TP53 (0.57) FAAHEPHX2MMP2MMP9MMP8
SCHEMBL29636830 0.72 RAB9A (0.74) MMP2MMP9MMP8MMP13NPC1

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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