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Acetonitrile

Acetonitrile

SCHEMBL28263241

CC#N.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 9/20 0.36
▸ ELANE P08246 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ CTSS P25774 5/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSL P07711 1/20 0.31
▸ CTSB P07858 1/20 0.31
▸ GPR119 Q8TDV5 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
Water SCHEMBL27716787 0.89 DGAT1 (0.40) CTSKELANEDGAT1HDAC6HDAC1
SCHEMBL5452 0.87 DGAT1 (0.42) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL8375577 0.87 DGAT1 (0.42) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL26028983 0.84 CTSK (0.33) CTSKELANEDGAT1CTSSHDAC6
SCHEMBL29808062 0.84 DGAT1 (0.40) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL29740062 0.84 DGAT1 (0.40) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL1145251 0.84 DGAT1 (0.40) ELANEDGAT1HDAC6HDAC1HDAC2
Hydrochloric Acid SCHEMBL28367906 0.84 DGAT1 (0.40) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL31469549 0.84 DGAT1 (0.40) ELANEDGAT1HDAC6HDAC1HDAC2
SCHEMBL29482425 0.84 DGAT1 (0.40) ELANEDGAT1HDAC6HDAC1HDAC2

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-105085525-B Isoquinolin sulfonyl derivative as RHO kinase inhibitor 南京明德新药研发股份有限公司 2019-01-04 — — CN disclosed