SCHEMBL9478372

SCHEMBL9478372

N#CS[n+]1cccc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.38
BCHE P06276 13/20 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
SCHEMBL7811897 0.72 ACHE (0.42) ACHEBCHE
SCHEMBL1185247 0.68 ACHE (0.42) ACHEBCHE
SCHEMBL9022926 0.68 ACHE (0.42) ACHEBCHE
SCHEMBL9025548 0.64 ACHE (0.41) ACHEBCHE
SCHEMBL1665979 0.64 ACHE (0.46) ACHEBCHE
Water SCHEMBL5786021 0.63 ATM (0.46) ACHEBCHE
SCHEMBL1051965 0.60 ACHE (0.48) ACHEBCHE
SCHEMBL7111378 0.60 ACHE (0.46) ACHEBCHE
SCHEMBL4824142 0.60 ACHE (0.46) ACHEBCHE
SCHEMBL8724092 0.60 ACHE (0.46) ACHEBCHE

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
US-5194673-A Reacting haloformate and alkali- or alkaline alkaline earth metal thiocyanate in presence of water and catalysts AMERICAN CYANAMID COMPANY (US) 1993-03-16 US disclosed