Acetonitrile

Acetonitrile

SCHEMBL3477901

CC#N.CCN(C(C)C)C(C)C

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
Acetonitrile SCHEMBL8910586 1.00 MEN1 (0.33) MEN1KMT2ATSHRALDH1A1
Acetonitrile SCHEMBL1730351 0.95 MEN1 (0.31) MEN1KMT2A
Water SCHEMBL1251556 0.87 MEN1 (0.40) MEN1KMT2A
SCHEMBL5544690 0.84 MEN1 (0.42) MEN1KMT2A
SCHEMBL7097725 0.84
SCHEMBL1746 0.84
SCHEMBL28199597 0.83 ALDH1A1 (0.33) MEN1KMT2ATSHRALDH1A1
Hydrazine SCHEMBL28180292 0.81 MEN1 (0.36) MEN1KMT2A
SCHEMBL319537 0.81 MEN1 (0.40) MEN1KMT2A
Ammonia Solution, Strong SCHEMBL1997314 0.81 MEN1 (0.40) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225005-A1 FLT3 COMBINATION THERAPY FOR CANCER AND COMPOSITIONS THEREFOR BIOMEA FUSION, INC. (US) 2023-11-23 WO disclosed
CN-109562168-A anti-CD 98 antibodies and antibody drug conjugates 艾伯维公司 2019-04-02 CN disclosed
CN-108026531-A ANTISENSE NUCLEIC ACID 日本新药株式会社 2018-05-11 CN disclosed
CN-103570683-B Polysubstituted aminated compounds and its preparation method and application 中国科学院上海药物研究所 2018-04-17 CN disclosed
CN-107531668-A Therapeutic pyridazine compound and application thereof 基因泰克公司 2018-01-02 CN disclosed
CN-106661577-A Antisense nucleic acid 日本新药株式会社 2017-05-10 CN disclosed
CN-102548557-A Compounds for reducing beta-amyloid production BRISTOL MYERS SQUIBB CO 2012-07-04 CN disclosed
WO-2010146449-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF IMIPENAM ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2010-12-23 WO disclosed
US-6204384-B1 THROMBIN INHIBITOR; ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2001-03-20 US disclosed
US-6011047-A Substituted 3-amino-2-hydroxyphenylacetamide derivatives as enzyme inhibitors CORVAS INTERNATIONAL INC. (US) 2000-01-04 US disclosed
WO-1999026920-A1 SUBSTITUTED 3-AMINO-2-HYDROXYPHENYLACETAMIDE DERIVATIVES AS ENZYME INHIBITORS (II) CORVAS INTERNATIONAL, INC. (US) 1999-06-03 WO disclosed
EP-0690716-A4 OLIGONUCLEOTIDES MODIFIED TO IMPROVE STABILITY AT ACID pH UNIV JOHNS HOPKINS (US) 1997-05-02 EP disclosed
EP-0690716-A1 OLIGONUCLEOTIDES MODIFIED TO IMPROVE STABILITY AT ACID pH THE JOHNS HOPKINS UNIVERSITY (US) 1996-01-10 EP disclosed
WO-1994015619-A1 OLIGONUCLEOTIDES MODIFIED TO IMPROVE STABILITY AT ACID pH THE JOHNS HOPKINS UNIVERSITY (US) 1994-07-21 WO disclosed