Cyanide

Cyanide

SCHEMBL27700014

C#N.Cc1ccccc1S(C)(=O)=O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.45
RAPGEF4 Q8WZA2 1/20 0.40
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
TP53 P04637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BCAT2 O15382 1/20 0.38
HSD11B1 P28845 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
EDNRA P25101 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
SCHEMBL12307 0.93 L3MBTL1 (0.50) L3MBTL1RAPGEF4TSHRACHEALDH1A1
SCHEMBL28278788 0.93 L3MBTL1 (0.50) L3MBTL1RAPGEF4TSHRACHEALDH1A1
Bromide SCHEMBL28167960 0.91 L3MBTL1 (0.48) L3MBTL1RAPGEF4TSHRACHEALDH1A1
Chloroform SCHEMBL28290992 0.84 L3MBTL1 (0.44) L3MBTL1RAPGEF4TSHRACHEALDH1A1
Carbon Tetrachloride SCHEMBL28292390 0.84 L3MBTL1 (0.44) L3MBTL1RAPGEF4TSHRACHEALDH1A1
SCHEMBL8106699 0.77 LOX (0.47) L3MBTL1ALDH1A1KDM4ETP53BCAT2
SCHEMBL3800751 0.76 TSHR (0.43) L3MBTL1RAPGEF4TSHRACHEALDH1A1
SCHEMBL17922579 0.76 HSD11B1 (0.47) L3MBTL1TSHRACHEALDH1A1KDM4E
SCHEMBL475089 0.75 ALDH1A1 (0.55) L3MBTL1RAPGEF4TSHRACHEALDH1A1
SCHEMBL29468592 0.75 ALDH1A1 (0.55) L3MBTL1RAPGEF4TSHRACHEALDH1A1

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-101027295-A Chemical compounds and pharmaceutical compositions containing them for the treatment of inflammatory disorders SCHERING CORP (US) 2007-08-29 CN disclosed