SCHEMBL28907172

SCHEMBL28907172

CCO[SiH](C)CCCNC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 7/20 0.32
EPHX1 P07099 3/20 0.32
TSHR P16473 1/20 0.30
ALOX15 P16050 1/20 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
SCHEMBL432323 0.84 CA12 (0.34) CA12CA1CA2CA9MEN1
SCHEMBL1186390 0.81 TSHR (0.39) CA12CA1CA2CA9TSHR
SCHEMBL483443 0.79 CA12 (0.37) CA12CA1CA2CA9MEN1
SCHEMBL28447310 0.77 ALOX15 (0.34) ALOX15
SCHEMBL15336996 0.77 KDM4E (0.36) MEN1KMT2AEPHX1TSHR
SCHEMBL2108839 0.76 ALOX15 (0.33) ALOX15
SCHEMBL729807 0.75 CA12 (0.37) CA12CA1CA2CA9MEN1
SCHEMBL19404171 0.75 KDM4E (0.34) MEN1KMT2AEPHX1TSHR
SCHEMBL1069334 0.74 ACHE (0.38) CA12CA1CA2CA9ACHE
SCHEMBL728061 0.74 CA12 (0.40) CA12CA1CA2CA9MEN1

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-107148455-B Conversion coating composition comprising a dye and method for coating a metal surface with the conversion coating composition 莫门蒂夫性能材料股份有限公司 2021-02-26 CN disclosed