Acetone

Acetone

SCHEMBL28318232

CC(C)=O.NNC(=O)NN(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 5/20 0.42
NPSR1 Q6W5P4 3/20 0.42
KDM4E B2RXH2 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
GAA P10253 3/20 0.38
ALOX12 P18054 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL28002730 0.94 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL135871 0.94 KMT2A (0.46) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Sulfuric Acid SCHEMBL28011786 0.93 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Water SCHEMBL28135297 0.92 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL10491726 0.92 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Alcohol SCHEMBL27839310 0.89 ALDH1A1 (0.47) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Bicarbonate SCHEMBL27952024 0.87 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Phosphoric Acid SCHEMBL27820431 0.87 KMT2A (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Nitrous Acid SCHEMBL28095768 0.87 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1
Sulfuric Acid SCHEMBL27762436 0.87 KMT2A (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110749593-A Method for rapidly detecting residual quantity of sulfur dioxide in food 谱尼测试集团股份有限公司 2020-02-04 CN claimed
CN-111077090-B Cr in soil containing large amount of reducing agent6+Is detected by 中国环境科学研究院 2020-09-11 CN disclosed
CN-111077090-A Cr in soil containing large amount of reducing agent6+Is detected by 中国环境科学研究院 2020-04-28 CN disclosed
CN-110749593-A Method for rapidly detecting residual quantity of sulfur dioxide in food 谱尼测试集团股份有限公司 2020-02-04 CN disclosed
CN-110174398-A Water body total chrome content on-line measuring device and method based on high-level oxidation technology 浙江工业大学 2019-08-27 CN disclosed
CN-109569561-A A kind of graphene/ZnAlTi hydrotalcite-like composite material and its preparation method and application 华南农业大学 2019-04-05 CN disclosed