SCHEMBL28858508

SCHEMBL28858508

Br/C=C(/Br)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
KDM4E B2RXH2 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EGFR P00533 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
JAK1 P23458 1/20 0.48
MAPK1 P28482 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTPN1 P18031 1/20 0.48

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
SCHEMBL28858513 1.00 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL23233852 0.83 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL28605331 0.79 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL964304 0.74 CES2 (0.68) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL29962905 0.74 CES2 (0.68) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL2783913 0.74 CES2 (0.56) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL5905848 0.72 CES1 (0.39) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL2837486 0.72 CES2 (0.65) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL5905850 0.72 CES1 (0.39) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL28858533 0.72 CES2 (0.48) CES2CES1KDM4EHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197046-B Halogenation method of unsaturated hydrocarbon 华南理工大学 2023-12-15 CN disclosed
CN-115197046-A Halogenation method of unsaturated hydrocarbon 华南理工大学 2022-10-18 CN disclosed