SCHEMBL29009683

SCHEMBL29009683

O=C(c1ccccc1)N(Cc1ccccc1)c1cc2ccccc2cc1I

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
PTGES O14684 3/20 0.44
ALOX5 P09917 3/20 0.44
KMT2A Q03164 4/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.43
CFTR P13569 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
HSD11B1 P28845 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
ACHE P22303 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TRPM8 Q7Z2W7 1/20 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
SCHEMBL29009686 0.84 TRPM8 (0.49) TSHRKMT2ANPC1MEN1GAA
SCHEMBL29009654 0.81 TP53 (0.49) TSHRPTGESALOX5KMT2ANPC1
SCHEMBL8332050 0.73 KMT2A (0.71) TSHRPTGESALOX5KMT2ANPC1
SCHEMBL22100824 0.73 TRPM8 (0.72) TSHRKMT2ANPC1MEN1GAA
SCHEMBL6779305 0.69 PTGES (0.53) PTGESALOX5KMT2ANPC1MEN1
SCHEMBL29009652 0.69 TSHR (0.49) TSHRKMT2ANPC1MEN1GAA
SCHEMBL3053571 0.69 MAPK14 (0.63) TSHRPTGESALOX5KMT2ANPC1
SCHEMBL3058316 0.69 TSHR (0.49) TSHRKMT2ANPC1MEN1GAA
SCHEMBL1003508 0.69 HDAC1 (0.71) TSHRKMT2AMEN1CFTRL3MBTL1
SCHEMBL28778950 0.68 CFTR (0.62) TSHRKMT2AMEN1CFTRL3MBTL1

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