SCHEMBL29014516

SCHEMBL29014516

CCOC(=O)c1c(-c2ccc(F)cc2)oc2cc(C(=O)N3CCCCC3)c(OC)cc12

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
HPGD P15428 4/20 0.46
TSHR P16473 2/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
RCE1 Q9Y256 1/20 0.44
ALOX5 P09917 2/20 0.44
PRNP P04156 1/20 0.43
PTGS2 P35354 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL29014540 0.91 KDM4E (0.57) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29014509 0.89 MEN1 (0.52) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29014551 0.83 GAA (0.48) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3539094 0.80 MEN1 (0.55) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3538663 0.80 MEN1 (0.66) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3546958 0.78 MEN1 (0.56) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29014552 0.78 KDM4E (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL30482838 0.78 KDM4E (0.46) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL3547313 0.77 KDM4E (0.47) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL29014544 0.77 GAA (0.56) KMT2AMEN1ALDH1A1TSHRGAA

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-109942523-B Benzofuran and benzofuran coumarin derivatives, and preparation method and application thereof 华东师范大学 2023-06-09 CN disclosed