SCHEMBL24454930

SCHEMBL24454930

C=C(NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.38
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ GAA P10253 3/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ GPR6 P46095 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL22515644 0.76 KDM4E (0.57) HDAC1HDAC2GAAKDM4EALDH1A1
SCHEMBL16808292 0.74 ALDH1A1 (0.48) ALDH1A1
SCHEMBL24457797 0.74 POLB (0.40) POLBHDAC1HDAC2GAAL3MBTL1
SCHEMBL8597022 0.73 ATM (0.42) POLBLMNA
SCHEMBL10205157 0.72 KMT2A (0.49) POLBHDAC1ALDH1A1
SCHEMBL9328091 0.71 GAA (0.45) POLBHDAC1HDAC2GAAL3MBTL1
SCHEMBL10644092 0.71 HDAC1 (0.37) POLBHDAC1HDAC2GAAL3MBTL1
SCHEMBL16804609 0.71 DPP4 (0.39) POLBHDAC1HDAC2GAAL3MBTL1
SCHEMBL9814590 0.71 MEN1 (0.38) POLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL9332120 0.70 POLB (0.39) POLBHDAC1HDAC2GAAL3MBTL1

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-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 — — WO disclosed
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