Acetonitrile

Acetonitrile

SCHEMBL28436643

CC#N.O=C1C=CC(=O)N1c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.84

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TLR9 Q9NR96 1/20 0.40
MGLL Q99685 9/20 0.39
FAAH O00519 2/20 0.39
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.36
CYP1A2 P05177 2/20 0.35
ERBB2 P04626 1/20 0.35
FYN P06241 1/20 0.35
MAOA P21397 1/20 0.35
ACHE P22303 1/20 0.35
AHR P35869 1/20 0.35

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
SCHEMBL21928 0.92 TLR9 (0.47) ALDH1A1KDM4EKMT2AHPGDCYP3A4
SCHEMBL29634180 0.92 TLR9 (0.47) ALDH1A1KDM4EKMT2AHPGDCYP3A4
SCHEMBL29400184 0.92 TLR9 (0.47) ALDH1A1KDM4EKMT2AHPGDCYP3A4
SCHEMBL22399176 0.85 TLR9 (0.48) ALDH1A1KDM4EKMT2ATLR9MGLL
SCHEMBL1552172 0.79 CYP1A2 (0.46) ALDH1A1KDM4EKMT2AHPGDCYP3A4
SCHEMBL30570724 0.79 CYP1A2 (0.46) ALDH1A1KDM4EKMT2AHPGDCYP3A4
SCHEMBL721959 0.77 CYP1A2 (0.47) ALDH1A1KDM4EKMT2AHPGDHSD17B10
SCHEMBL21972845 0.76 TLR9 (0.39) ALDH1A1KMT2ATDP1TLR9MGLL
SCHEMBL3263559 0.73 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AHPGDCYP3A4
Pyrene SCHEMBL28241464 0.73 ALDH1A1 (0.65) ALDH1A1KDM4EKMT2AHPGDCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111443151-B Method for detecting content of trace cysteine in compound amino acid injection 费森尤斯卡比华瑞制药有限公司 2023-07-14 CN claimed
CN-111443151-A Method for detecting content of trace cysteine in compound amino acid injection 费森尤斯卡比华瑞制药有限公司 2020-07-24 CN claimed
CN-115266963-B Method for detecting cysteine and cystine in compound amino acid injection 北京诺康达医药科技股份有限公司 2024-01-05 CN disclosed
CN-111443151-B Method for detecting content of trace cysteine in compound amino acid injection 费森尤斯卡比华瑞制药有限公司 2023-07-14 CN disclosed
CN-111443151-B Method for detecting content of trace cysteine in compound amino acid injection 费森尤斯卡比华瑞制药有限公司 2023-07-14 CN disclosed
CN-115266963-A Method for detecting cysteine and cystine in compound amino acid injection 北京诺康达医药科技股份有限公司 2022-11-01 CN disclosed
CN-111443151-A Method for detecting content of trace cysteine in compound amino acid injection 费森尤斯卡比华瑞制药有限公司 2020-07-24 CN disclosed
CN-111443151-A Method for detecting content of trace cysteine in compound amino acid injection 费森尤斯卡比华瑞制药有限公司 2020-07-24 CN disclosed