SCHEMBL28419552

SCHEMBL28419552

Br[Mg]Br.C#Cc1cccc(C#C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP1A1 P04798 1/20 0.43
CYP1B1 Q16678 1/20 0.43
PTPN1 P18031 1/20 0.40
FFAR1 O14842 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HDAC8 Q9BY41 3/20 0.37
IDO1 P14902 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EGFR P00533 1/20 0.33
TDO2 P48775 1/20 0.33

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
SCHEMBL1502312 0.89 CA12 (0.54) CA12CA1CA2CA9CA14
SCHEMBL10481162 0.86 CA12 (0.52) CA12CA1CA2CA9CA14
SCHEMBL27725899 0.81 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL1786004 0.77
SCHEMBL16962736 0.77 CA12 (0.45) CA12CA1CA2CA9CA14
SCHEMBL1666197 0.77 CA12 (0.50) CA12CA1CA2CA9CA14
SCHEMBL853950 0.77 ENPP2 (0.48) CA12CA1CA2CA9CA14
SCHEMBL3841296 0.76 CA12 (0.48) CA12CA1CA2CA9CA14
Formic Acid SCHEMBL28183571 0.75 CA12 (0.48) CA12CA1CA2CA9CA14
SCHEMBL560108 0.72

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111333844-B Preparation method of high-heat-resistance silicon oxide alkyne hybrid resin 华东理工大学 2022-08-09 CN claimed
CN-111333844-A Preparation method of high-heat-resistance silicon oxide alkyne hybrid resin 华东理工大学 2020-06-26 CN claimed
CN-111333844-B Preparation method of high-heat-resistance silicon oxide alkyne hybrid resin 华东理工大学 2022-08-09 CN disclosed
CN-111333844-B Preparation method of high-heat-resistance silicon oxide alkyne hybrid resin 华东理工大学 2022-08-09 CN disclosed
CN-111333844-A Preparation method of high-heat-resistance silicon oxide alkyne hybrid resin 华东理工大学 2020-06-26 CN disclosed
CN-111333844-A Preparation method of high-heat-resistance silicon oxide alkyne hybrid resin 华东理工大学 2020-06-26 CN disclosed