Acetonitrile

Acetonitrile

SCHEMBL8317376

CC#N.ClC(Cl)C1CCCO1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL232066 0.87
Dimethyl Sulfoxide SCHEMBL9398547 0.79 RAB9A (0.31) RAB9ASMN1; SMN2
Alcohol SCHEMBL7279870 0.79 ALDH1A1 (0.34) GAAL3MBTL1RAB9ASMN1; SMN2
Hexane SCHEMBL9219008 0.78 EPHX1 (0.39) RAB9ASMN1; SMN2
Acetic Acid SCHEMBL7279012 0.78 RAB9A (0.39) GAAL3MBTL1RAB9ASMN1; SMN2
SCHEMBL708874 0.74
SCHEMBL17298095 0.72
Acetonitrile SCHEMBL4967039 0.69
SCHEMBL1680638 0.69
SCHEMBL15277276 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0553107-B1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARM INC (US) 1999-09-29 EP disclosed
EP-0553107-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY PROCYON PHARMACEUTICALS, INC. (US) 1993-08-04 EP disclosed
WO-1992002484-A1 PROTEIN KINASE C MODULATORS WITH ANTI-INFLAMMATORY AND ANTIVIRAL ACTIVITY ALDER RESEARCH CENTER LIMITED PARTNERSHIP (US) 1992-02-20 WO disclosed
EP-0310622-A1 ANTI-INFLAMMATORY COMPOSITIONS. ALDER RES CENTER CORP (US) 1989-04-12 EP disclosed
WO-1987007599-A2 ANTI-INFLAMMATORY COMPOSITIONS ALDER RESEARCH CENTER CORPORATION (US) 1987-12-17 WO disclosed