Cyanide

Cyanide

SCHEMBL11277622

C#N.N#CCc1cccc2c1COO2

nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL6076550 0.97 ALDH1A1 (0.34) ALDH1A1HPGD
SCHEMBL30969397 0.79 ABCG2 (0.33) ALDH1A1HPGD
SCHEMBL4130190 0.71
SCHEMBL9231118 0.66 TSHR (0.43) ALDH1A1HPGD
SCHEMBL11100915 0.65 CYP3A4 (0.42) ALDH1A1HPGD
SCHEMBL29790875 0.65 PGR (0.33) ALDH1A1HPGD
SCHEMBL9298451 0.65 TSHR (0.35)
SCHEMBL9504431 0.65 ALDH1A1 (0.35) ALDH1A1HPGD
SCHEMBL2260662 0.65 MTNR1A (0.49)
SCHEMBL13278320 0.64 GABRA1 (0.48) ALDH1A1HPGD

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
EP-0004902-B1 BENZODIOXOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS SYNERGISTS IN PESTICIDES BAYER AG (DE) 1982-04-21 EP disclosed
EP-0004902-A2 Benzodioxole derivatives, process for their preparation and their use as synergists in pesticides BAYER AG (DE) 1979-10-31 EP disclosed