SCHEMBL30657010

SCHEMBL30657010

COc1cc(OC)c(OC)cc1C#Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.51
PDGFRA P16234 1/20 0.51
EGFR P00533 2/20 0.49
KCNH2 Q12809 2/20 0.47
GRM5 P41594 1/20 0.47
APP P05067 1/20 0.46
AAK1 Q2M2I8 1/20 0.45
FFAR1 O14842 2/20 0.43
HAO1 Q9UJM8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 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
SCHEMBL6005624 0.96 KCNH2 (0.50) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL12334022 0.87 GRM5 (0.44) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL26259889 0.87 PDGFRB (0.54) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL12334019 0.86 GRM5 (0.43) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL12334020 0.81 EGFR (0.45) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL20681655 0.80 KCNH2 (0.44) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL4269716 0.80 PDGFRB (0.54) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL2774016 0.80 FFAR1 (0.60) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL15895661 0.80 ALDH1A1 (0.49) PDGFRBPDGFRAEGFRKCNH2GRM5
SCHEMBL4096903 0.79 AAK1 (0.50) PDGFRBPDGFRAEGFRAAK1FFAR1

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-117069732-A Preparation method of benzo [ c ] phenanthridine natural product and derivative thereof 沈阳药科大学 2023-11-17 CN disclosed