SCHEMBL30157578

SCHEMBL30157578

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.51
▸ P2RX7 Q99572 1/20 0.50
▸ GAA P10253 2/20 0.49
▸ HTT P42858 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.48
▸ POLB P06746 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ USP2 O75604 1/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ LIPG Q9Y5X9 2/20 0.43
▸ GFER P55789 1/20 0.43

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
SCHEMBL30157966 0.91 KMT2A (0.58) KMT2AGAAHTTALDH1A1POLB
SCHEMBL30157767 0.89 KMT2A (0.54) KMT2AGAAHTTALDH1A1POLB
SCHEMBL30158675 0.88 USP2 (0.54) KMT2AP2RX7GAAHTTALDH1A1
SCHEMBL30157926 0.88 HTT (0.53) KMT2AGAAHTTALDH1A1POLB
SCHEMBL30157888 0.87 GAA (0.52) KMT2AP2RX7GAAHTTALDH1A1
SCHEMBL30157585 0.87 HTT (0.58) KMT2AGAAHTTALDH1A1POLB
SCHEMBL30157321 0.86 KMT2A (0.53) KMT2AGAAHTTALDH1A1POLB
SCHEMBL30157725 0.85 HTT (0.51) KMT2AP2RX7GAAHTTALDH1A1
SCHEMBL30157722 0.85 GAA (0.63) KMT2AP2RX7GAAHTTALDH1A1
SCHEMBL30157688 0.84 KMT2A (0.58) KMT2AGAAHTTALDH1A1POLB

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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