SCHEMBL11477441

SCHEMBL11477441

CNC(=S)NCCCSc1[nH]cnc1C

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 5/20 0.45
HRH4 Q9H3N8 5/20 0.45
HRH3 Q9Y5N1 1/20 0.45
QPCT Q16769 1/20 0.35
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
RECQL P46063 1/20 0.32
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL11325018 0.79 HRH2 (0.43) HRH2HRH4HRH3QPCTLMNA
SCHEMBL11101330 0.74 FDPS (0.43) HRH2HRH4HRH3QPCT
SCHEMBL11526674 0.74 L3MBTL1 (0.51) HRH2HRH4HRH3LMNA
Metiamide SCHEMBL11363901 0.73 HRH2 (0.39) HRH2HRH4HRH3LMNA
SCHEMBL11318905 0.73 POLB (0.43) HRH2HRH4HRH3QPCTRECQL
SCHEMBL11477437 0.72 GCK (0.30)
SCHEMBL11254228 0.71 L3MBTL1 (0.39) HRH2HRH4HRH3
SCHEMBL11103342 0.69 HRH4 (0.60) HRH2HRH4HRH3
SCHEMBL11312823 0.69 HRH2 (0.37) HRH2HRH4HRH3QPCTLMNA
SCHEMBL11101776 0.69 QPCT (0.39) HRH2HRH4HRH3QPCTLMNA

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-4200761-A Process for preparing N-cyano-N'methyl-N\"-{2-[(4-methyl-5-imidazolyl)-methylthio]-ethyl} guanidine LEK, TOVARNA FARMACEVTSKIH IN KEMICNIH IZDELKOV, N.SOL.O. (YU) 1980-04-29 US disclosed