SCHEMBL28605331

SCHEMBL28605331

O=C/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 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP3A4 P08684 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
EGFR P00533 1/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
ALOX15 P16050 1/20 0.49
ALOX12 P18054 1/20 0.49
JAK1 P23458 1/20 0.49
MAPK1 P28482 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTPN1 P18031 1/20 0.49

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
SCHEMBL28858508 0.79 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL28858513 0.79 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL23233852 0.79 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL9610760 0.78 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL5448715 0.78 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL5448716 0.78 CES2 (0.52) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL203839 0.76 TDP1 (0.44) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL203840 0.76 TDP1 (0.44) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL17795994 0.75 CES2 (0.48) CES2CES1KDM4EHPGDSMN1; SMN2
SCHEMBL964304 0.74 CES2 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677627-B 2,2' -bisfuran compound, and preparation method and application thereof 华南理工大学 2024-04-12 CN disclosed
CN-115677627-A 2,2' -difuran compound and preparation method and application thereof 华南理工大学 2023-02-03 CN disclosed
CN-113214283-B Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2022-09-30 CN disclosed
CN-113214283-A Preparation method of furan macrocyclic compound, prepared furan macrocyclic compound and application 华南理工大学 2021-08-06 CN disclosed