SCHEMBL9660280

SCHEMBL9660280

CCCCCCCCCCCCCCCCCCN([C]=O)CCCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.46
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
KDM5A P29375 2/20 0.38
PHF8 Q9UPP1 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADH1C P00326 2/20 0.36
ADH1A P07327 2/20 0.36
ADH4 P08319 2/20 0.36
S1PR2 O95136 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
S1PR5 Q9H228 1/20 0.36
EPHX1 P07099 4/20 0.36
ADH1B P00325 1/20 0.36
ADH7 P40394 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
SCHEMBL9660143 1.00 DNM1 (0.46) DNM1TSHRTHRBKDM5APHF8
SCHEMBL270099 1.00 DNM1 (0.46) DNM1TSHRTHRBKDM5APHF8
SCHEMBL9660564 1.00 DNM1 (0.46) DNM1TSHRTHRBKDM5APHF8
SCHEMBL9660623 1.00 DNM1 (0.46) DNM1TSHRTHRBKDM5APHF8
SCHEMBL9661129 1.00 DNM1 (0.46) DNM1TSHRTHRBKDM5APHF8
SCHEMBL9661121 1.00 DNM1 (0.46) DNM1TSHRTHRBKDM5APHF8
SCHEMBL9658798 1.00 DNM1 (0.46) DNM1TSHRTHRBKDM5APHF8
SCHEMBL276870 0.97 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL5469943 0.97 DNM1 (0.48) DNM1TSHRTHRBCA12CA1
SCHEMBL11667597 0.97 DNM1 (0.48) DNM1TSHRTHRBCA12CA1

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-0517262-A1 Trifluorothymidine derivatives, process for producing the same and anti-cancer agent containing the same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-09 EP disclosed