SCHEMBL30500239

SCHEMBL30500239

COCOc1cccc(I)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.46
MAOB P27338 2/20 0.38
IDO1 P14902 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
FYN P06241 2/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL3657469 1.00 APP (0.46) APPMAOBIDO1TP53CYP3A4
SCHEMBL1607526 0.85 MAOB (0.48) APPMAOBTP53CYP3A4LMNA
SCHEMBL6089644 0.84 APP (0.41) APPMAOBCYP1A2CYP2D6MAPK1
SCHEMBL29584039 0.82 MAPK1 (0.46) APPLMNACYP1A2CYP2D6MAPK1
SCHEMBL670276 0.82 MAPK1 (0.46) APPLMNACYP1A2CYP2D6MAPK1
SCHEMBL23907052 0.81 TP53 (0.43) APPIDO1TP53CYP3A4LMNA
SCHEMBL13846053 0.81 CYP1A2 (0.53) APPCYP1A2CYP2D6MAPK1CYP2C19
SCHEMBL10048853 0.81 CYP1A2 (0.53) APPMAOBCYP3A4CYP1A2CYP2D6
SCHEMBL2186305 0.80 MAOB (0.42) APPMAOBTP53CYP3A4LMNA
SCHEMBL13845920 0.79 CYP1A2 (0.51) CYP1A2CYP2D6MAPK1CYP2C19

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-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
CN-116323608-A AMPK activator 卡尔优普公司 2023-06-23 CN disclosed