SCHEMBL30157582

SCHEMBL30157582

Cc1ccc(CN2C(=O)CCC2CC(=O)NCc2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.65
▸ ALDH1A1 P00352 4/20 0.61
▸ HDAC1 Q13547 2/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ CYP3A4 P08684 3/20 0.57
▸ CYP2C9 P11712 3/20 0.57
▸ CYP2C19 P33261 3/20 0.57
▸ GAA P10253 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ LMNA P02545 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47

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
SCHEMBL30157585 0.89 HTT (0.58) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30157483 0.88 GAA (0.61) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30158715 0.86 GAA (0.59) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30157678 0.86 KMT2A (0.60) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30158132 0.85 KMT2A (0.54) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30157688 0.84 KMT2A (0.58) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30157966 0.84 KMT2A (0.58) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL30157590 0.84 KMT2A (0.58) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30157612 0.83 KMT2A (0.57) KMT2AALDH1A1HDAC1HDAC2CYP3A4
SCHEMBL30158532 0.82 KMT2A (0.56) KMT2AALDH1A1CYP3A4CYP2C9CYP2C19

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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