Cyanide

Cyanide

SCHEMBL28091040

C#N.CCC1CCCN1CC

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
HTT P42858 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPK1 P28482 1/20 0.36
SIGMAR1 Q99720 2/20 0.36
TSHR P16473 1/20 0.36
PIM1 P11309 1/20 0.35
DRD2 P14416 1/20 0.35
ACHE P22303 1/20 0.35

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
SCHEMBL154109 0.93
SCHEMBL1709355 0.93
SCHEMBL1709350 0.93
SCHEMBL28196279 0.93 ALDH1A1 (0.49) ALDH1A1L3MBTL1HTTKMT2AATM
Hydrochloric Acid SCHEMBL28466963 0.91 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTKMT2AATM
Ammonia Solution, Strong SCHEMBL28353022 0.91 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTHRH3KMT2A
Bromide SCHEMBL28466662 0.91 ALDH1A1 (0.47) ALDH1A1L3MBTL1HTTHRH3KMT2A
Ammonia Solution, Strong SCHEMBL27996117 0.89 ALDH1A1 (0.46) ALDH1A1L3MBTL1HTTHRH3KMT2A
SCHEMBL28196804 0.87 ALDH1A1 (0.45) ALDH1A1L3MBTL1HTTKMT2AATM
SCHEMBL3265294 0.86 MAPK1 (0.45) ALDH1A1L3MBTL1HTTKMT2AATM

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
CN-105960396-B Method for fluorinating compounds 美国陶氏益农公司 2019-07-05 CN claimed
CN-105960396-A Method for fluorinating compounds 美国陶氏益农公司 2016-09-21 CN claimed