SCHEMBL30157585

SCHEMBL30157585

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.58
▸ ALDH1A1 P00352 5/20 0.56
▸ KMT2A Q03164 1/20 0.54
▸ GAA P10253 2/20 0.52
▸ POLB P06746 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ TP53 P04637 2/20 0.49
▸ EPHX2 P34913 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ MAPT P10636 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48

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 0.96 KMT2A (0.58) HTTALDH1A1KMT2AGAAPOLB
SCHEMBL30157559 0.93 EPHX2 (0.54) HTTALDH1A1POLBTSHREPHX2
SCHEMBL30157767 0.92 KMT2A (0.54) HTTALDH1A1KMT2AGAAPOLB
SCHEMBL30157926 0.91 HTT (0.53) HTTALDH1A1KMT2AGAAPOLB
SCHEMBL30157321 0.91 KMT2A (0.53) HTTALDH1A1KMT2AGAAPOLB
SCHEMBL30157582 0.89 KMT2A (0.65) HTTALDH1A1KMT2AGAACYP3A4
SCHEMBL30158675 0.89 USP2 (0.54) HTTALDH1A1KMT2AGAAPOLB
SCHEMBL30158635 0.89 POLB (0.57) HTTALDH1A1KMT2AGAAPOLB
SCHEMBL30157600 0.89 KMT2A (0.51) HTTALDH1A1KMT2AGAAPOLB
SCHEMBL30157688 0.87 KMT2A (0.58) HTTALDH1A1KMT2AGAAPOLB

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
Send feedback