Cyanide

Cyanide

SCHEMBL28306757

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

nearest known ligand 0.86

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.86
ALDH1A1 P00352 4/20 0.58
TP53 P04637 3/20 0.58
HIF1A Q16665 3/20 0.58
CYP3A4 P08684 2/20 0.58
HSD17B10 Q99714 1/20 0.58
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
THRB P10828 2/20 0.43
ATM Q13315 1/20 0.31
ACHE P22303 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
SCHEMBL14875 0.93
SCHEMBL30363554 0.93 TSHR (1.00) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21630258 0.93 TSHR (1.00) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL8657697 0.91
SCHEMBL2457464 0.91
Ethylene SCHEMBL2946941 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL8850416 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15841321 0.91
Ethylene Glycol SCHEMBL8650028 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4
Ethylene SCHEMBL8048018 0.91 TSHR (0.95) TSHRALDH1A1TP53HIF1ACYP3A4

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-109971294-A A kind of organic/inorganic hybridization material of self-initiating and its preparation method and application 广州五行材料科技有限公司 2019-07-05 CN disclosed