SCHEMBL9861586

SCHEMBL9861586

N=C(NN)NCCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 1/20 0.60
DUSP3 P51452 1/20 0.60
GAA P10253 2/20 0.58
ALDH1A1 P00352 3/20 0.50
MAPK1 P28482 1/20 0.50
HIF1A Q16665 1/20 0.50
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
KEAP1 Q14145 1/20 0.47
EPHX1 P07099 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.46
EPHX2 P34913 1/20 0.45

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 SCHEMBL9290882 0.98 LMNA (0.63) LMNAKDM4EHPGDDUSP3GAA
Bromide SCHEMBL9723331 0.97 LMNA (0.61) LMNAKDM4EHPGDDUSP3GAA
SCHEMBL9505845 0.90 CA12 (0.53) LMNAKDM4EHPGDDUSP3GAA
Bromide SCHEMBL9290816 0.88 CA12 (0.51) LMNAKDM4EHPGDDUSP3GAA
SCHEMBL9505830 0.88 LMNA (0.47) LMNAKDM4EHPGDDUSP3GAA
Bromide SCHEMBL9290773 0.86 LMNA (0.46) LMNAKDM4EHPGDDUSP3GAA
SCHEMBL2905467 0.84 KDM4E (0.45) LMNAKDM4EHPGDDUSP3GAA
SCHEMBL14595368 0.83 HPGD (0.60) LMNAKDM4EHPGDDUSP3GAA
SCHEMBL6206098 0.83 GAA (0.66) LMNAKDM4EHPGDDUSP3GAA
SCHEMBL2905190 0.83 ALDH1A1 (0.44) LMNAKDM4EALDH1A1MAPK1SMN1; SMN2

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