SCHEMBL30157600

SCHEMBL30157600

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ POLB P06746 3/20 0.48
▸ GAA P10253 2/20 0.48
▸ TSHR P16473 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ ESRRB O95718 1/20 0.45
▸ ESRRG P62508 1/20 0.45
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 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
SCHEMBL30157966 0.93 KMT2A (0.58) KMT2AHTTPOLBGAATSHR
SCHEMBL30157767 0.89 KMT2A (0.54) KMT2AHTTPOLBGAATSHR
SCHEMBL30157585 0.89 HTT (0.58) KMT2AHTTPOLBGAATSHR
SCHEMBL30157321 0.88 KMT2A (0.53) KMT2AHTTPOLBGAATSHR
SCHEMBL30158635 0.86 POLB (0.57) KMT2AHTTPOLBGAATSHR
SCHEMBL30157277 0.85 KMT2A (0.48) KMT2AHTTPOLBGAATSHR
SCHEMBL30157590 0.84 KMT2A (0.58) KMT2AHTTPOLBGAATSHR
SCHEMBL30157688 0.84 KMT2A (0.58) KMT2AHTTPOLBGAATSHR
SCHEMBL30157578 0.84 KMT2A (0.51) KMT2AHTTPOLBGAATSHR
SCHEMBL30157926 0.84 HTT (0.53) KMT2AHTTPOLBGAATSHR

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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