SCHEMBL30157277

SCHEMBL30157277

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ HTT P42858 1/20 0.47
▸ GAA P10253 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ P2RX7 Q99572 2/20 0.43
▸ GFER P55789 1/20 0.43
▸ TACR1 P25103 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 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
SCHEMBL30157822 0.92 P2RX7 (0.52) KMT2AHTTGAAMAPTP2RX7
SCHEMBL30157966 0.88 KMT2A (0.58) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157600 0.85 KMT2A (0.51) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157321 0.85 KMT2A (0.53) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157767 0.84 KMT2A (0.54) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157585 0.84 HTT (0.58) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157845 0.84 HTT (0.50) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157593 0.84 KMT2A (0.52) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157926 0.83 HTT (0.53) KMT2AHTTGAAPOLBTSHR
SCHEMBL30157578 0.83 KMT2A (0.51) KMT2AHTTGAAPOLBTSHR

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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