SCHEMBL29009654

SCHEMBL29009654

COc1cc(I)c(N(Cc2ccccc2)C(=O)c2ccccc2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HTT P42858 1/20 0.48
ACHE P22303 4/20 0.46
BCHE P06276 3/20 0.46
TSHR P16473 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
PDE4D Q08499 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 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
SCHEMBL29009686 0.83 TRPM8 (0.49) NPC1RAB9ATSHRMEN1KMT2A
SCHEMBL29009683 0.81 TSHR (0.49) NPC1RAB9AACHETSHRMEN1
SCHEMBL6778747 0.75 NPC1 (0.55) NPC1RAB9AACHETSHRMEN1
SCHEMBL6784816 0.75 PTGES (0.60) TP53NPC1RAB9AHTTSMN1; SMN2
SCHEMBL14174100 0.74 NPC1 (0.63) TP53NPC1RAB9ATSHRMEN1
SCHEMBL6779305 0.72 PTGES (0.53) TP53NPC1RAB9AHTTMEN1
SCHEMBL9865544 0.72 TP53 (0.45) TP53NPC1RAB9AHTTACHE
SCHEMBL22100824 0.72 TRPM8 (0.72) NPC1RAB9AHTTTSHRMEN1
SCHEMBL6778659 0.72 ALDH1A1 (0.49) TP53HTTMEN1KMT2ASMN1; SMN2
SCHEMBL13503759 0.72 NPC1 (0.57) TP53NPC1RAB9ATSHRMEN1

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