SCHEMBL11225463

SCHEMBL11225463

CCOCC(O)CNCCNCCNCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
CA12 O43570 3/20 0.39
CA6 P23280 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
CA5B Q9Y2D0 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 2/20 0.39
CA2 P00918 2/20 0.39
CA3 P07451 2/20 0.39
CA4 P22748 2/20 0.39
CA5A P35218 2/20 0.39
CA1 P00915 1/20 0.39
ALOX15 P16050 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 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
SCHEMBL11386042 1.00 KDM4E (0.50) KDM4ECA12CA6CA7CA9
SCHEMBL11235646 0.96 KDM4E (0.53) KDM4EALDH1A1HTTKMT2AADRB2
SCHEMBL16948555 0.91 KDM4E (0.59) KDM4EHTTKMT2AMEN1ADRB2
SCHEMBL11387212 0.89 KDM4E (0.50) KDM4ECA12CA6CA7CA9
SCHEMBL14726523 0.86 KDM4E (0.47) KDM4ECA12CA6CA7CA9
SCHEMBL14198102 0.85 KDM4E (0.57) KDM4EALDH1A1KMT2AADRB2ADRB1
SCHEMBL17188506 0.84 KDM4E (0.48) KDM4ETDP1ALDH1A1HTTKMT2A
SCHEMBL11231807 0.84 KDM4E (0.52) KDM4ETDP1ALDH1A1HTTKMT2A
SCHEMBL13343920 0.81 KDM4E (0.44) KDM4ECA12CA6CA7CA9
SCHEMBL11232438 0.81 HTT (0.54) KDM4EALDH1A1ALOX15HTTKMT2A

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
US-4315846-A FUNGICIDES TOKYO ORGANIC CHEMICAL INDUSTRIES, LTD. (JP) 1982-02-16 US disclosed