SCHEMBL28952181

SCHEMBL28952181

COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
USP30 Q70CQ3 1/20 0.42
EPHX2 P34913 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL29241970 0.87 POLB (0.48) LMNANPSR1KMT2AMEN1TP53
SCHEMBL20420752 0.84 RXFP1 (0.52) LMNANPSR1KMT2AMEN1TP53
SCHEMBL3343836 0.82 KDM4E (0.59) LMNANPSR1KMT2AMEN1TP53
SCHEMBL3343831 0.82 KDM4E (0.59) LMNANPSR1KMT2AMEN1TP53
SCHEMBL28952093 0.78 KDM4E (0.44) LMNANPSR1KMT2AMEN1HPGD
SCHEMBL31239008 0.76 LMNA (0.79) LMNANPSR1KMT2AMEN1TP53
SCHEMBL28952145 0.76 ALDH1A1 (0.45) LMNANPSR1KMT2AMEN1HPGD
SCHEMBL28952133 0.76 KDM4E (0.42) LMNANPSR1KMT2AMEN1HPGD
SCHEMBL28952136 0.76 KDM4E (0.42) LMNANPSR1KMT2AMEN1HPGD
SCHEMBL28952234 0.75 ALDH1A1 (0.54) LMNANPSR1KMT2AMEN1HPGD

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-115703755-B 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2024-07-02 CN disclosed
CN-115703755-A 2H-benzopyran-2-one derivatives and uses thereof 成都赜灵生物医药科技有限公司 2023-02-17 CN disclosed