SCHEMBL28778151

SCHEMBL28778151

NCC=CCNCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
DPP7 Q9UHL4 1/20 0.50
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH7 P40394 1/20 0.47
MAOA P21397 1/20 0.47
IDO1 P14902 2/20 0.46
MAPT P10636 2/20 0.45
CHRM2 P08172 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
CYP3A4 P08684 1/20 0.45
SIGMAR1 Q99720 2/20 0.42
AOC3 Q16853 1/20 0.42
TK1 P04183 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL15607673 0.89 MEN1 (0.64) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL11665806 0.83 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL6616250 0.81 MAOB (0.65) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL8781417 0.81 MEN1 (0.54) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL16869633 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL887920 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL2720624 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL14602897 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL2242696 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B
SCHEMBL859512 0.79 MEN1 (0.52) MEN1KMT2ATDP1DPP7ADH1B

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
CN-101528032-A Subunguicide and method for treating onychomycosis BIRNBAUM JAY E (US) 2009-09-09 CN disclosed
CN-101505603-A Boron-containing small molecules ANACOR PHARMACEUTICALS INC (US) 2009-08-12 CN disclosed