Acetonitrile

Acetonitrile

SCHEMBL28675864

CC#N.Cc1ccc(S(=O)(=O)N=C=O)cc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.46
F2 P00734 2/20 0.46
PRSS1 P07477 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
GAA P10253 2/20 0.43
ALDH1A1 P00352 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
S100A4 P26447 1/20 0.43
MTOR P42345 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43

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
SCHEMBL22302 0.92 F2 (0.52) GLAF2PRSS1PRSS2PRSS3
SCHEMBL28209363 0.89 F2 (0.48) GLAF2PRSS1PRSS2PRSS3
SCHEMBL10884771 0.85 F2 (0.46) GLAF2PRSS1PRSS2PRSS3
SCHEMBL5653955 0.82 F2 (0.37) F2PRSS1PRSS2PRSS3GAA
SCHEMBL5083311 0.81 SMN1; SMN2 (0.51) GLAF2PRSS1PRSS2PRSS3
SCHEMBL7471475 0.77 CA1 (0.48) KMT2AMAPTCA12CA1CA2
Acetonitrile SCHEMBL9780144 0.76 GAA (0.50) GLAGAAALDH1A1KMT2AMAPT
Acetonitrile SCHEMBL28545462 0.76 GAA (0.50) GLAGAAALDH1A1KMT2AMAPT
SCHEMBL5138229 0.76 SMN1; SMN2 (0.48) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL28156026 0.76 SMN1; SMN2 (0.48) F2PRSS1PRSS2PRSS3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113583062-A Derivatization method of lincomycin, lincomycin derivative and application of derivatization method 华南农业大学 2021-11-02 CN disclosed