SCHEMBL29763591

SCHEMBL29763591

C=CCC(=O)Nc1cccc2cccnc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.69
POLB P06746 2/20 0.66
HTT P42858 1/20 0.63
HDAC6 Q9UBN7 4/20 0.60
HDAC3 O15379 3/20 0.60
HDAC4 P56524 3/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC7 Q8WUI4 3/20 0.60
HDAC2 Q92769 3/20 0.60
HDAC10 Q969S8 3/20 0.60
HDAC11 Q96DB2 3/20 0.60
HDAC8 Q9BY41 3/20 0.60
HDAC9 Q9UKV0 3/20 0.60
HDAC5 Q9UQL6 3/20 0.60
LMNA P02545 3/20 0.59
ALDH1A1 P00352 1/20 0.59
KDM4E B2RXH2 1/20 0.58
RECQL P46063 1/20 0.58
MAPT P10636 3/20 0.57
MEN1 O00255 3/20 0.57

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
SCHEMBL22041544 1.00 TDP1 (0.69) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28343328 0.87 POLB (0.69) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28340849 0.87 POLB (0.68) TDP1POLBHTTHDAC6HDAC3
SCHEMBL1753903 0.86 TDP1 (0.79) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28340810 0.85 POLB (0.65) TDP1POLBHTTHDAC6HDAC3
SCHEMBL28340811 0.85 POLB (0.65) TDP1POLBHTTHDAC6HDAC3
SCHEMBL9464627 0.84 POLB (0.88) TDP1POLBHTTHDAC6HDAC3
SCHEMBL19329990 0.84 TDP1 (0.60) TDP1POLBHTTHDAC6HDAC3
SCHEMBL30942024 0.83 POLB (0.67) TDP1POLBHTTHDAC6HDAC3
SCHEMBL22072359 0.83 POLB (0.67) TDP1POLBHTTHDAC6HDAC3

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219557-A Preparation method of beta, gamma-unsaturated nitrile compound 苏州大学 2024-12-31 CN claimed
CN-117447398-A Synthesis method of cyclopentyl-substituted fatty amide 南通大学 2024-01-26 CN claimed
CN-116478195-A Method for synthesizing 1, 2-triboroalkane 南京工业大学 2023-07-25 CN claimed
CN-113121373-B Method for synthesizing chlorambucil 南京工业大学 2022-06-24 CN claimed
CN-119219557-A Preparation method of beta, gamma-unsaturated nitrile compound 苏州大学 2024-12-31 CN disclosed
CN-119219557-A Preparation method of beta, gamma-unsaturated nitrile compound 苏州大学 2024-12-31 CN disclosed
CN-112552285-B Synthesis method of 4- (2, 2-trichloroethyl) -beta-lactam derivative 苏州大学 2024-07-23 CN disclosed
CN-117447398-A Synthesis method of cyclopentyl-substituted fatty amide 南通大学 2024-01-26 CN disclosed
CN-117417253-A Method for preparing phenyl alkyl acid ester by alkyl olefin 常州大学 2024-01-19 CN disclosed
CN-117126135-A Synthesis method of 3, 4-diaminobutyric acid derivative 常州大学 2023-11-28 CN disclosed
CN-116478195-A Method for synthesizing 1, 2-triboroalkane 南京工业大学 2023-07-25 CN disclosed
CN-113121373-B Method for synthesizing chlorambucil 南京工业大学 2022-06-24 CN disclosed
CN-113121373-B Method for synthesizing chlorambucil 南京工业大学 2022-06-24 CN disclosed