SCHEMBL29009647

SCHEMBL29009647

CN(C(=O)c1cccc2ccccc12)c1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PLK1 P53350 1/20 0.45
MMP3 P08254 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
CNR2 P34972 1/20 0.42
PTPN1 P18031 1/20 0.41
CDC25B P30305 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40

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
SCHEMBL9303595 0.78 POLB (0.60) SIGMAR1NR4A1NR4A2NR4A3PLK1
SCHEMBL10407111 0.77 NR4A1 (0.59) SIGMAR1NR4A1NR4A2NR4A3PLK1
SCHEMBL8174124 0.76 TSHR (0.56) SIGMAR1NR4A1NR4A2NR4A3PLK1
SCHEMBL9480890 0.74 NR4A1 (0.55) SIGMAR1NR4A1NR4A2NR4A3PLK1
SCHEMBL31276830 0.74 RAB9A (0.46) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL8376485 0.73 NR4A1 (0.59) SIGMAR1NR4A1NR4A2NR4A3PLK1
SCHEMBL29009650 0.73 PLAU (0.49) PTPN1MEN1KMT2AALDH1A1KDM4E
SCHEMBL3808036 0.72 NR4A1 (0.45) SIGMAR1NR4A1NR4A2NR4A3PLK1
SCHEMBL14855476 0.71 NR4A1 (0.52) SIGMAR1NR4A1NR4A2NR4A3PLK1
SCHEMBL18652132 0.71 NR4A1 (0.52) SIGMAR1NR4A1NR4A2NR4A3PLK1

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-115010564-B Preparation method of o-iodophenyl compound 苏州大学 2024-03-19 CN disclosed
CN-115010564-A Preparation method of o-iodophenyl compound 苏州大学 2022-09-06 CN disclosed