SCHEMBL30157928

SCHEMBL30157928

CC(C)(C)c1ccc(CN2C(=O)CCC2CC(=O)NCc2ccccc2F)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ GAA P10253 1/20 0.47
▸ P2RX7 Q99572 14/20 0.45
▸ SLC1A2 P43004 1/20 0.42
▸ RIPK1 Q13546 1/20 0.42
▸ KMT2A Q03164 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
SCHEMBL30157915 0.90 GAA (0.60) HDAC1HDAC2GAAP2RX7KMT2A
SCHEMBL30158715 0.89 GAA (0.59) HDAC1HDAC2GAAP2RX7SLC1A2
SCHEMBL30157924 0.87 HDAC1 (0.50) HDAC1HDAC2GAAP2RX7SLC1A2
SCHEMBL30157660 0.86 KMT2A (0.49) HDAC1HDAC2GAAP2RX7KMT2A
SCHEMBL30157458 0.83 P2RX7 (0.52) HDAC1HDAC2P2RX7KMT2A
SCHEMBL30158625 0.82 P2RX7 (0.48) P2RX7KMT2A
SCHEMBL30157819 0.81 SMN1; SMN2 (0.51) HDAC1HDAC2GAAKMT2A
SCHEMBL30157769 0.80 GAA (0.52) HDAC1HDAC2GAAKMT2A
SCHEMBL30157483 0.79 GAA (0.61) HDAC1HDAC2GAAP2RX7KMT2A
SCHEMBL30157728 0.79 P2RX7 (0.64) P2RX7

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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