SCHEMBL30157321

SCHEMBL30157321

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ GAA P10253 3/20 0.52
▸ HTT P42858 1/20 0.52
▸ TSHR P16473 3/20 0.50
▸ POLB P06746 2/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ ALOX15 P16050 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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 0.95 KMT2A (0.58) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157585 0.91 HTT (0.58) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157767 0.91 KMT2A (0.54) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157725 0.89 HTT (0.51) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157498 0.88 GAA (0.48) KMT2AGAAHTTTSHRPOLB
SCHEMBL30158635 0.88 POLB (0.57) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157600 0.88 KMT2A (0.51) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157490 0.87 KMT2A (0.50) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157590 0.86 KMT2A (0.58) KMT2AGAAHTTTSHRPOLB
SCHEMBL30157688 0.86 KMT2A (0.58) KMT2AGAAHTTTSHRPOLB

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