SCHEMBL30733016

SCHEMBL30733016

Brc1ccc(B(c2ccc(Br)s2)c2ccc(Br)s2)s1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DAO P14920 1/20 0.37
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
GSK3B P49841 2/20 0.33
SNCA P37840 1/20 0.31

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
SCHEMBL28593687 0.72 TSHR (0.46) CES2CES1DAOGSK3BSNCA
SCHEMBL197157 0.65 SNCA (0.50) CES2CES1DAOMEN1MAPT
SCHEMBL5889194 0.63 SNCA (0.48) CES2CES1DAOMEN1MAPT
SCHEMBL153465 0.61
SCHEMBL28768964 0.61
SCHEMBL5051990 0.61
SCHEMBL19460135 0.59 CES2 (0.39) CES2CES1DAOMEN1MAPT
SCHEMBL13049960 0.59 KDM4E (0.45) CES2CES1DAOMEN1MAPT
SCHEMBL16597437 0.59
Bromide SCHEMBL2650429 0.59

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-117209516-A Boron-amine complex monomer with strong charge separation, boron-amine conjugated polymer, and preparation method and application thereof 上海科技大学 2023-12-12 CN disclosed