SCHEMBL30157654

SCHEMBL30157654

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 10/20 0.52
▸ GAA P10253 1/20 0.49
▸ KMT2A Q03164 1/20 0.48
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HTT P42858 1/20 0.44

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
SCHEMBL30157888 0.93 GAA (0.52) P2RX7GAAKMT2AUSP2NPSR1
SCHEMBL30157722 0.89 GAA (0.63) P2RX7GAAKMT2AUSP2ALDH1A1
SCHEMBL30157767 0.88 KMT2A (0.54) GAAKMT2ALMNANPSR1ALDH1A1
SCHEMBL30157966 0.86 KMT2A (0.58) GAAKMT2ANPSR1ALDH1A1HPGD
SCHEMBL30158675 0.86 USP2 (0.54) P2RX7GAAKMT2AUSP2NPSR1
SCHEMBL30157578 0.85 KMT2A (0.51) P2RX7GAAKMT2AUSP2NPSR1
SCHEMBL30157498 0.84 GAA (0.48) P2RX7GAAKMT2ANPSR1ALDH1A1
SCHEMBL30157785 0.84 P2RX7 (0.62) P2RX7LMNAALDH1A1HPGDHTT
SCHEMBL30157590 0.82 KMT2A (0.58) GAAKMT2AUSP2NPSR1ALDH1A1
SCHEMBL30157688 0.82 KMT2A (0.58) GAAKMT2AUSP2NPSR1ALDH1A1

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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