SCHEMBL9507395

SCHEMBL9507395

CN1CCN(CCCNC(=N)NN)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.41
PAOX Q6QHF9 1/20 0.39
RAB9A P51151 1/20 0.38
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
GAA P10253 2/20 0.37
RAD52 P43351 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
DRD2 P14416 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 SCHEMBL9291049 0.98 KDM4E (0.42) KDM4ELMNASMN1; SMN2TP53HSD17B10
SCHEMBL9505830 0.93 LMNA (0.47) KDM4ELMNASMN1; SMN2TP53USP2
Bromide SCHEMBL9290773 0.91 LMNA (0.46) KDM4ELMNASMN1; SMN2TP53USP2
SCHEMBL9290896 0.89 HDAC2 (0.43) KDM4ESMN1; SMN2HSD17B10PAOXHPGD
SCHEMBL2905467 0.86 KDM4E (0.45) KDM4ELMNASMN1; SMN2HSD17B10HPGD
SCHEMBL2905190 0.84 ALDH1A1 (0.44) KDM4ELMNASMN1; SMN2HSD17B10RAD52
Iodide SCHEMBL4008476 0.84 KDM4E (0.44) KDM4ELMNASMN1; SMN2HSD17B10HPGD
Iodide SCHEMBL4010788 0.83 ALDH1A1 (0.43) KDM4ELMNASMN1; SMN2HSD17B10RAD52
SCHEMBL1176628 0.82 SMN1; SMN2 (0.45) KDM4ELMNASMN1; SMN2TP53HSD17B10
SCHEMBL9861586 0.81 LMNA (0.65) KDM4ELMNASMN1; SMN2KMT2ARAB9A

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
EP-0327919-B1 METHOD AND AGENTS FOR PREVENTING STAINING OF TEETH THE ROCKEFELLER UNIVERSITY (US) 1993-09-15 EP claimed