SCHEMBL28952134

SCHEMBL28952134

COc1ccc(N(C)c2cc(=O)oc3ccccc23)cc1NC(=O)C(C)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
PTGS2 P35354 7/20 0.42
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GPR55 Q9Y2T6 2/20 0.42
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
ALDH1A1 P00352 5/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL28952127 1.00 NPSR1 (0.44) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL29242023 0.90 HPGD (0.45) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL29242019 0.90 HPGD (0.45) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL28952063 0.90 HPGD (0.45) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL28952066 0.90 HPGD (0.45) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL28952095 0.90 NPSR1 (0.45) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL28952101 0.90 NPSR1 (0.45) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL28952219 0.89 PTGS2 (0.48) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL28952133 0.89 KDM4E (0.42) NPSR1HPGDPTGS2MAPTSMN1; SMN2
SCHEMBL30275961 0.88 PTGS2 (0.44) NPSR1HPGDPTGS2MAPTSMN1; 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-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