SCHEMBL9861592

SCHEMBL9861592

NNC(N)=NCCCN1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.49
LMNA P02545 2/20 0.49
KEAP1 Q14145 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.44
DUSP3 P51452 1/20 0.44
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
PAOX Q6QHF9 1/20 0.37
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36

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
Bromide SCHEMBL9290888 0.98 KDM4E (0.48) KDM4ELMNAKEAP1SMN1; SMN2GAA
Bromide SCHEMBL9723335 0.97 KDM4E (0.47) KDM4ELMNAKEAP1SMN1; SMN2GAA
SCHEMBL6445297 0.90 KDM4E (0.44) KDM4ELMNAKEAP1SMN1; SMN2GAA
Bromide SCHEMBL9290820 0.88 KDM4E (0.43) KDM4ELMNAKEAP1SMN1; SMN2GAA
SCHEMBL10594659 0.88 SIGMAR1 (0.43) KDM4ELMNASIGMAR1HRH3
Bromide SCHEMBL10340648 0.86 SIGMAR1 (0.43) KDM4ELMNASIGMAR1HRH3
SCHEMBL2905469 0.84 SIGMAR1 (0.51) LMNASIGMAR1HRH3
SCHEMBL2905192 0.83 LMNA (0.52) LMNASIGMAR1ALDH1A1HRH3
Iodide SCHEMBL4008478 0.83 SIGMAR1 (0.50) LMNASIGMAR1HRH3
SCHEMBL5924357 0.81 SIGMAR1 (0.40) LMNASIGMAR1HRH3PAOX

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
US-4983604-A Aminoguanidine derivatives THE ROCKEFELLER UNIVERSITY (US) 1991-01-08 US claimed
US-4983604-A Aminoguanidine derivatives THE ROCKEFELLER UNIVERSITY (US) 1991-01-08 US disclosed