Cyanide

Cyanide

SCHEMBL28298857

C#N.COc1cccnc1Br

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.43
PDGFRB P09619 1/20 0.43
PDGFRA P16234 1/20 0.43
NSD2 O96028 1/20 0.42
CASP6 P55212 1/20 0.42
S1PR4 O95977 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
CA14 Q9ULX7 1/20 0.41
TRIM24 O15164 1/20 0.38
TRIM33 Q9UPN9 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 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
SCHEMBL30454545 0.94
SCHEMBL162184 0.94
Hydrochloric Acid SCHEMBL28030641 0.92 PLAU (0.46) PLAUPDGFRBPDGFRANSD2CASP6
Ammonia Solution, Strong SCHEMBL28240370 0.92 PLAU (0.46) PLAUPDGFRBPDGFRANSD2CASP6
Formaldehyde SCHEMBL28298897 0.88 PLAU (0.43) PLAUPDGFRBPDGFRANSD2CASP6
Pyridine SCHEMBL5263081 0.85 PLAU (0.41) PLAUPDGFRBPDGFRANSD2CASP6
Formic Acid Methyl Ester SCHEMBL27958597 0.83 TRIM24 (0.47) PLAUPDGFRBPDGFRANSD2CASP6
Formic Acid SCHEMBL28244691 0.83 TRIM24 (0.47) PLAUPDGFRBPDGFRANSD2CASP6
Formic Acid Methyl Ester SCHEMBL28061228 0.77 TRIM24 (0.41) PLAUPDGFRBPDGFRANSD2CASP6
Cyanide SCHEMBL28048133 0.76 NFE2L2 (0.46) PLAUPDGFRBPDGFRACA12CA1

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-106458956-B The heterocycle sulfone that heteroaryl replaces 格吕伦塔尔有限公司 2019-06-14 CN disclosed