SCHEMBL30157568

SCHEMBL30157568

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccccc2Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ KMT2A Q03164 1/20 0.49
▸ BCHE P06276 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ P2RX7 Q99572 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TSHR P16473 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ GFER P55789 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL30157722 0.89 GAA (0.63) GAAKMT2ABCHEACHEHTT
SCHEMBL30157769 0.89 GAA (0.52) GAAKMT2ABCHEACHEHTT
SCHEMBL30157585 0.87 HTT (0.58) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157983 0.87 GAA (0.53) GAAKMT2ABCHEACHEHTT
SCHEMBL30157966 0.87 KMT2A (0.58) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157877 0.84 HTT (0.51) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157767 0.83 KMT2A (0.54) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157590 0.82 KMT2A (0.58) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157688 0.82 KMT2A (0.58) GAAKMT2AHTTALDH1A1KDM4E
SCHEMBL30157321 0.82 KMT2A (0.53) GAAKMT2AHTTALDH1A1KDM4E

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 — — WO disclosed
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