SCHEMBL28312840

SCHEMBL28312840

CCCCCCCCCN=C=O.N=C=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.52
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 3/20 0.36
THRB P10828 1/20 0.36
GSK3B P49841 1/20 0.31
CES2 O00748 3/20 0.31
CES1 P23141 3/20 0.31
EPHX2 P34913 1/20 0.31
CA1 P00915 8/20 0.30
CA2 P00918 8/20 0.30
CA9 Q16790 7/20 0.30
CA12 O43570 3/20 0.30
CA7 P43166 3/20 0.30
CA14 Q9ULX7 3/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA5B Q9Y2D0 2/20 0.30

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
SCHEMBL28411565 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL28224952 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL28209412 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL28770902 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL21291758 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL27680980 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL28253937 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL3710071 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL28705513 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB
SCHEMBL28272402 1.00 NAAA (0.52) NAAAMEN1KMT2ATSHRTHRB

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
CN-104395368-B Coating agent with high Scratch Resistance 赢创德固赛有限公司 2019-08-06 CN disclosed