Cyanide

Cyanide

SCHEMBL28004471

C#N.O=[SH](=O)c1ccccc1

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA5A P35218 1/20 0.32
BBOX1 O75936 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
EHMT1 Q9H9B1 1/20 0.32
ALDH1A1 P00352 3/20 0.31
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
PTGS1 P23219 1/20 0.30
SLC6A2 P23975 1/20 0.30
MAPK1 P28482 1/20 0.30
PTGS2 P35354 1/20 0.30
HTR2B P41595 1/20 0.30
HSD17B10 Q99714 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
Benzene SCHEMBL28228740 0.91 BBOX1 (0.37) CA2CA4CA5ABBOX1EHMT2
SCHEMBL29127374 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
Ammonia Solution, Strong SCHEMBL27691225 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
Water SCHEMBL27621442 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
Bromide SCHEMBL27618467 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
SCHEMBL28801712 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
Hydrochloric Acid SCHEMBL27735116 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
SCHEMBL28234151 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
Hydrochloric Acid SCHEMBL28762594 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2
SCHEMBL27838470 0.88 BBOX1 (0.35) CA2CA4CA5ABBOX1EHMT2

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-102933195-B Composition comprising a dibenzoylmethane screening agent and a merocyanine dicyano or cyanoacetate derivative, method for photostabilization of dibenzoylmethane screening agent OREAL 2015-04-01 CN disclosed