SCHEMBL13744729

SCHEMBL13744729

CCCCN1CCCc2cc3c(CCN)cc(=O)oc3cc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.47
MAPT P10636 3/20 0.47
TSHR P16473 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 14/20 0.45
KMT2A Q03164 5/20 0.45
NPSR1 Q6W5P4 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 1/20 0.41
SLC18A1 P54219 1/20 0.41
SLC18A2 Q05940 1/20 0.41
HTT P42858 2/20 0.39
GAA P10253 4/20 0.39
ERAP1 Q9NZ08 1/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL13744715 0.91 KDM4E (0.45) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13745134 0.90 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13745008 0.82 ALDH1A1 (0.45) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13745114 0.81 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744750 0.81 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744803 0.79 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744725 0.79 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744755 0.79 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13744868 0.77 KDM4E (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1
SCHEMBL13745242 0.75 ALDH1A1 (0.44) KDM4EMAPTTSHRSMN1; SMN2ALDH1A1

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
WO-2009097144-A1 MOLECULAR PROBES FOR PET-IMAGING OF DOPAMINE NEUROTRANSMISSION AND NEUROENDOCRINE PROCESSES IN VIVO THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2009-08-06 WO disclosed