SCHEMBL9605892

SCHEMBL9605892

NCCCNCCCCNCCCNCCCNC(=O)c1ccc(N)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
EPHX2 P34913 2/20 0.54
KDM4C Q9H3R0 1/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 1/20 0.51
ALOX15 P16050 2/20 0.46
POLB P06746 1/20 0.46
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL8516388 0.84 KDM4E (0.58) KDM4EEPHX2KDM4CGRIN1GRIN2A
SCHEMBL8515153 0.84 KDM4E (0.58) KDM4EEPHX2KDM4CGRIN1GRIN2A
SCHEMBL13403402 0.84 EPHX2 (0.63) KDM4EEPHX2HDAC1HDAC6GABRP
SCHEMBL8513622 0.82 KDM4E (0.58) KDM4EEPHX2KDM4CGRIN1GRIN2A
SCHEMBL10730956 0.80 EPHX2 (0.59) KDM4EEPHX2HDAC1HDAC6GABRP
SCHEMBL24976247 0.80 EPHX2 (0.53) KDM4EEPHX2HDAC1HDAC6GABRP
SCHEMBL7326932 0.79 GRIN1 (0.60) KDM4EGRIN1GRIN2AGRIN2BHDAC1
SCHEMBL29127177 0.78 EPHX2 (0.63) KDM4EEPHX2KDM4CHDAC1HDAC6
SCHEMBL23913095 0.77 HDAC6 (0.63) HDAC1HDAC6
SCHEMBL2614261 0.77 GRIN1 (0.58) KDM4EGRIN1GRIN2AGRIN2BHDAC1

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-2012069608-A1 TECHNETIUM-99M COMPLEX AS A TOOL FOR THE IN VIVO DIAGNOSIS OF CANCEROUS TUMOURS PIERRE FABRE MEDICAMENT (FR) 2012-05-31 WO disclosed