SCHEMBL9505830

SCHEMBL9505830

N=C(NN)NCCCN1CCN(CCCNC(=N)NN)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.42
DUSP3 P51452 1/20 0.42
GAA P10253 2/20 0.41
ALDH1A1 P00352 3/20 0.39
USP2 O75604 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37

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 SCHEMBL9290773 0.98 LMNA (0.46) LMNAKDM4ESMN1; SMN2TP53HPGD
SCHEMBL9507395 0.93 KDM4E (0.43) LMNAKDM4ESMN1; SMN2TP53HPGD
SCHEMBL2905467 0.92 KDM4E (0.45) LMNAKDM4ESMN1; SMN2HPGDDUSP3
Bromide SCHEMBL9291049 0.91 KDM4E (0.42) LMNAKDM4ESMN1; SMN2TP53HPGD
Iodide SCHEMBL4008476 0.91 KDM4E (0.44) LMNAKDM4ESMN1; SMN2HPGDDUSP3
SCHEMBL2905190 0.91 ALDH1A1 (0.44) LMNAKDM4ESMN1; SMN2ALDH1A1MAPT
Iodide SCHEMBL4010788 0.89 ALDH1A1 (0.43) LMNAKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL9861586 0.88 LMNA (0.65) LMNAKDM4ESMN1; SMN2HPGDDUSP3
Bromide SCHEMBL9290882 0.86 LMNA (0.63) LMNAKDM4ESMN1; SMN2HPGDDUSP3
Bromide SCHEMBL9723331 0.85 LMNA (0.61) LMNAKDM4ESMN1; SMN2HPGDDUSP3

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
EP-0327919-B1 METHOD AND AGENTS FOR PREVENTING STAINING OF TEETH THE ROCKEFELLER UNIVERSITY (US) 1993-09-15 EP claimed
US-5128122-A Nitrogen compound THE ROCKEFELLER UNIVERSITY (US) 1992-07-07 US claimed