SCHEMBL30157888

SCHEMBL30157888

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2cc(Cl)ccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ P2RX7 Q99572 6/20 0.45
▸ HTT P42858 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ POLB P06746 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL30157654 0.93 P2RX7 (0.52) GAAALDH1A1KMT2AUSP2P2RX7
SCHEMBL30157722 0.89 GAA (0.63) GAAALDH1A1KMT2AUSP2P2RX7
SCHEMBL30157767 0.88 KMT2A (0.54) GAAALDH1A1KMT2AHTTKDM4E
SCHEMBL30157578 0.87 KMT2A (0.51) GAAALDH1A1KMT2AUSP2P2RX7
SCHEMBL30157966 0.86 KMT2A (0.58) GAAALDH1A1KMT2AHTTKDM4E
SCHEMBL30158675 0.86 USP2 (0.54) GAAALDH1A1KMT2AUSP2P2RX7
SCHEMBL30157585 0.82 HTT (0.58) GAAALDH1A1KMT2AHTTKDM4E
SCHEMBL30157688 0.82 KMT2A (0.58) GAAALDH1A1KMT2AUSP2HTT
SCHEMBL30157590 0.82 KMT2A (0.58) GAAALDH1A1KMT2AUSP2HTT
SCHEMBL30157321 0.81 KMT2A (0.53) GAAALDH1A1KMT2AHTTKDM4E

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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