Cyanide

Cyanide

SCHEMBL28048133

C#N.COc1cccnc1Cl

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.46
PLAU P00749 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
G6PD P11413 1/20 0.42
POLB P06746 3/20 0.42
RAB9A P51151 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41

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
SCHEMBL1445568 0.94
SCHEMBL29695082 0.94
Formic Acid SCHEMBL28048184 0.83 NFE2L2 (0.49) NFE2L2PLAUNPC1L3MBTL1POLB
Formic Acid Methyl Ester SCHEMBL27958586 0.83 NFE2L2 (0.49) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL11544019 0.81 L3MBTL1 (0.48) NFE2L2PLAUNPC1L3MBTL1POLB
SCHEMBL20406217 0.77 POLB (0.50) NFE2L2NPC1L3MBTL1POLBRAB9A
SCHEMBL16586557 0.76 LMNA (0.43) NFE2L2NPC1POLBRAB9AMEN1
Cyanide SCHEMBL28298857 0.76 PLAU (0.43) NFE2L2PLAUPDGFRBPDGFRANPC1
SCHEMBL1415473 0.76 ALDH1A1 (0.49) NFE2L2NPC1L3MBTL1POLBRAB9A
SCHEMBL7055873 0.75 L3MBTL1 (0.44) NFE2L2NPC1L3MBTL1POLBRAB9A

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-105164121-A Perfluorinated cyclopropyl-fused 1, 3-oxazin-2-amine compounds as beta-secretase inhibitors and methods of use thereof AMGEN INC 2015-12-16 CN disclosed