Acetonitrile

Acetonitrile

SCHEMBL2915375

CC#N.COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2c(=O)cc[nH]c2=O)cc1C(C)(C)C

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.64
CYP3A4 P08684 3/20 0.39
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
BRD4 O60885 7/20 0.33
NR3C1 P04150 2/20 0.33
AR P10275 2/20 0.33
PGR P06401 1/20 0.33
NR3C2 P08235 1/20 0.33
BRPF1 P55201 1/20 0.32
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
PIP4K2A P48426 2/20 0.31
PIP4K2B P78356 2/20 0.31
TP53 P04637 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
Water SCHEMBL2915433 0.97 CRBN (0.68) CRBNCYP3A4HSP90AA1HSP90AB1BRD4
SCHEMBL2913931 0.96 CRBN (0.69) CRBNCYP3A4BRD4NR3C1AR
Methyl Alcohol SCHEMBL2913736 0.94 CRBN (0.67) CRBNCYP3A4BRD4NR3C1AR
Alcohol SCHEMBL2909873 0.92 CRBN (0.64) CRBNCYP3A4BRD4NR3C1AR
Isopropyl Alcohol SCHEMBL2910113 0.92 CRBN (0.64) CRBNCYP3A4BRD4NR3C1AR
Propanol SCHEMBL2911013 0.91 CRBN (0.62) CRBNCYP3A4BRD4NR3C1AR
SCHEMBL2915248 0.88 CRBN (0.58) CRBNCYP3A4BRD4NR3C1AR
SCHEMBL2915298 0.88 CRBN (0.56) CRBNCYP3A4IKBKBCHUKPIP4K2A
SCHEMBL2913565 0.88 CRBN (0.58) CRBNCYP3A4BRD4NR3C1AR
SCHEMBL2914822 0.88 CRBN (0.58) CRBNCYP3A4BRD4NR3C1AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222646-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C Abbott Laboratories (US) 2010-09-01 EP claimed
EP-2203431-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF Abbott Laboratories (US) 2010-07-07 EP claimed
WO-2009039127-A1 URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C ABBOTT LABORATORIES (US) 2009-03-26 WO claimed
WO-2009039134-A1 ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF ABBOTT LABORATORIES (US) 2009-03-26 WO claimed