Acetonitrile

Acetonitrile

SCHEMBL21381900

CC#N.CCCCCCCC(O)CC(=O)OCC

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.53
FFAR1 O14842 2/20 0.44
FFAR4 Q5NUL3 1/20 0.44
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
NFKB1 P19838 1/20 0.39
ZDHHC7 Q9NXF8 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7600154 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL7602590 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL7599849 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL12083744 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL7603423 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL2310664 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL7598470 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL22655388 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL1269210 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3
SCHEMBL319981 0.92 GPR84 (0.61) GPR84FFAR1FFAR4KDM4EDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768676-A1 LUMINESCENT COMPOUNDS The University Of Birmingham (GB) 2021-01-27 EP disclosed
WO-2019180445-A1 LUMINESCENT COMPOUNDS THE UNIVERSITY OF BIRMINGHAM (GB) 2019-09-26 WO disclosed