SCHEMBL29009686

SCHEMBL29009686

Cc1cc(I)c(N(Cc2ccccc2)C(=O)c2ccccc2)cc1C

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.49
TSHR P16473 3/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 3/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
LMNA P02545 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSPO P30536 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL29009683 0.84 TSHR (0.49) TRPM8TSHRKMT2AMEN1NPC1
SCHEMBL29009654 0.83 TP53 (0.49) TSHRKMT2AMEN1NPC1RAB9A
SCHEMBL22100824 0.81 TRPM8 (0.72) TRPM8TSHRKMT2AMEN1NPC1
SCHEMBL29009652 0.73 TSHR (0.49) TRPM8TSHRKMT2AMEN1NPC1
SCHEMBL7371332 0.72 TRPM8 (0.63) TRPM8TSHRKMT2AMEN1NPC1
SCHEMBL3064804 0.72 TRPM8 (0.63) TRPM8TSHRKMT2AMEN1NPC1
SCHEMBL8332050 0.72 KMT2A (0.71) TRPM8TSHRKMT2AMEN1NPC1
SCHEMBL22100763 0.70 NPC1 (0.65) TRPM8TSHRKMT2AMEN1NPC1
SCHEMBL2022652 0.70 TSHR (0.43) TRPM8TSHRKMT2AMEN1L3MBTL1
SCHEMBL3054619 0.69 TRPM8 (0.52) TRPM8TSHRKMT2AMEN1NPC1

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