SCHEMBL28609155

SCHEMBL28609155

O=C(Cl)/C=C/c1ccc(Cn2ccnc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 7/20 0.80
CYP1A2 P05177 2/20 0.80
USP2 O75604 1/20 0.80
LMNA P02545 1/20 0.80
MEN1 O00255 1/20 0.80
CYP3A4 P08684 1/20 0.80
CYP2D6 P10635 1/20 0.80
CYP2C19 P33261 1/20 0.80
KMT2A Q03164 1/20 0.80
CYP11B1 P15538 7/20 0.56
CYP11B2 P19099 6/20 0.56
CYP19A1 P11511 6/20 0.55
CYP2A6 P11509 1/20 0.54
CYP2B6 P20813 1/20 0.54

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
Ozagrel SCHEMBL4211 0.89 TBXAS1 (1.00) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL4210 0.89 TBXAS1 (1.00) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL28049244 0.87 TBXAS1 (0.97) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL36182 0.87 TBXAS1 (1.00) TBXAS1CYP1A2USP2LMNAMEN1
SCHEMBL20066483 0.87 TBXAS1 (0.78) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL1652693 0.87 TBXAS1 (0.97) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL582827 0.87 TBXAS1 (0.97) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL582828 0.87 TBXAS1 (0.97) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL36183 0.87 TBXAS1 (1.00) TBXAS1CYP1A2USP2LMNAMEN1
Ozagrel SCHEMBL10493930 0.86 TBXAS1 (0.97) TBXAS1CYP1A2USP2LMNAMEN1

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-107823649-B Paeonol-ozagrel conjugate brain-targeted liposome and preparation method thereof 安徽中医药大学 2021-07-27 CN disclosed