SCHEMBL27452587

SCHEMBL27452587

O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCC(N2C(=O)CCC2=O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.58
▸ EPHX2 P34913 2/20 0.58
▸ KCNK2 O95069 1/20 0.54
▸ KCNK4 Q9NYG8 1/20 0.54
▸ MMP2 P08253 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ MMP8 P22894 1/20 0.51
▸ MMP13 P45452 1/20 0.51
▸ MGLL Q99685 7/20 0.50
▸ NPC1 O15118 4/20 0.50
▸ RAB9A P51151 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TP53 P04637 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ POLB P06746 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
SCHEMBL27452647 0.93 FAAH (0.58) FAAHEPHX2KCNK2KCNK4MMP2
SCHEMBL2243918 0.84 FAAH (0.69) FAAHEPHX2KCNK2KCNK4MMP2
SCHEMBL7107437 0.80 FAAH (0.67) FAAHEPHX2KCNK2KCNK4MMP2
SCHEMBL27452500 0.79 KCNK2 (0.59) FAAHEPHX2KCNK2KCNK4MMP2
SCHEMBL27452503 0.76 TP53 (0.58) FAAHEPHX2KCNK2KCNK4MMP2
SCHEMBL27451116 0.73 RAB9A (0.77) MMP2MMP9MMP8MMP13MGLL
SCHEMBL2245499 0.72 NPC1 (0.73) FAAHEPHX2MMP2MMP9MMP8
SCHEMBL20379246 0.71 MMP2 (0.78) MMP2MMP9MMP8MMP13MGLL
SCHEMBL27451123 0.71 RAB9A (0.68) MGLLNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL27452652 0.71 TP53 (0.57) FAAHEPHX2MMP2MMP9MMP8

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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