SCHEMBL20215529

SCHEMBL20215529

Cc1ccc(-c2ccc(OCCCCCN3CCN(c4ccnc(N)c4)S3(=O)=O)cc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.68
LARS1 Q9P2J5 1/20 0.40
MAPK14 Q16539 1/20 0.36
HRH3 Q9Y5N1 4/20 0.35
ACHE P22303 2/20 0.35
HRH4 Q9H3N8 1/20 0.35

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
SCHEMBL18609161 0.97 KCNH2 (0.71) KCNH2LARS1MAPK14HRH3
SCHEMBL17233236 0.90 KCNH2 (0.66) KCNH2LARS1HRH3
SCHEMBL17233268 0.86 KCNH2 (0.61) KCNH2LARS1HRH3
SCHEMBL17233263 0.86 KCNH2 (0.62) KCNH2LARS1HRH3
SCHEMBL17233327 0.86 KCNH2 (0.62) KCNH2LARS1
SCHEMBL17233333 0.85 KCNH2 (0.67) KCNH2HRH3
SCHEMBL17233015 0.85 KCNH2 (0.75) KCNH2LARS1
SCHEMBL17232987 0.84 KCNH2 (0.63) KCNH2
SCHEMBL17232990 0.84 KCNH2 (0.63) KCNH2LARS1HRH3
SCHEMBL17233307 0.83 KCNH2 (0.62) KCNH2LARS1

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-9988361-B2 Anti-enterovirus 71 thiadiazolidine derivative JIANGSU KANION PHARMACEUTICAL CO., LTD. (CN) 2018-06-05 US disclosed