Sugi Predict

Sugi Predict / Compounds / Cyanide

Cyanide

Cyanide

SCHEMBL28063239

C#N.Nc1c(F)c(F)cc(F)c1F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.39
▸ CA2 P00918 3/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA13 Q8N1Q1 1/20 0.39
▸ CA4 P22748 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 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
SCHEMBL461597 0.91 CA1 (0.43) CA1CA2CA12CA7CA13
Benzene SCHEMBL29240836 0.85 CA1 (0.40) CA1CA2CA12CA7CA13
SCHEMBL859273 0.79 CA1 (0.40) CA1CA2CA12CA7CA13
SCHEMBL8919707 0.79 CA1 (0.40) CA1CA2CA12CA7CA13
SCHEMBL5506992 0.78 CA1 (0.36) CA1CA2CA12CA7CA13
Cyanide SCHEMBL27561413 0.78 CA1 (0.38) CA1CA2CA12CA7CA13
SCHEMBL1462129 0.77 ALDH1A1 (0.36) CA1CA2CA12CA7CA13
SCHEMBL29690296 0.77 ALDH1A1 (0.36) CA1CA2CA12CA7CA13
Cyanide SCHEMBL27743981 0.73 CA1 (0.30) CA1CA2CA12CA7CA13
SCHEMBL1032872 0.73 CA1 (0.40) CA1CA2CA12CA7CA13

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-105523962-A Fluorobenzonitrile compound preparation method DALIAN QIKAI MEDICAL TECH CO LTD 2016-04-27 — — CN disclosed