SCHEMBL28952145

SCHEMBL28952145

COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)CN1CCCC(C)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 5/20 0.45
MAPT P10636 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAD52 P43351 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 4/20 0.42
KDM4E B2RXH2 2/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RECQL P46063 1/20 0.42
MAOB P27338 2/20 0.41
HRH3 Q9Y5N1 2/20 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
SCHEMBL28952130 0.91 ALDH1A1 (0.49) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL28952234 0.90 ALDH1A1 (0.54) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL28952266 0.87 ALDH1A1 (0.47) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL28952118 0.87 ALDH1A1 (0.49) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL28964725 0.86 ALDH1A1 (0.47) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL28952531 0.85 LMNA (0.46) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL28952293 0.83 ALDH1A1 (0.45) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL20420752 0.80 RXFP1 (0.52) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL20428330 0.80 ALDH1A1 (0.48) ALDH1A1HPGDLMNAMAPTMEN1
SCHEMBL28952542 0.80 ALDH1A1 (0.48) ALDH1A1HPGDLMNAMAPTMEN1

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