SCHEMBL28948520

SCHEMBL28948520

C=C(C)C(=O)N(Cc1ccccc1)c1ccccc1I

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.44
TSPO P30536 1/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 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
SCHEMBL28726978 0.84 TRPM8 (0.40) TRPM8TSPOCA12CA9NPC1
SCHEMBL28948542 0.83 TSHR (0.40) ALDH1A1GLAHTTLMNAMEN1
SCHEMBL28850407 0.82 HPGD (0.46) TRPM8TSPOCA12CA9NPC1
SCHEMBL28078011 0.80 NPC1 (0.56) TRPM8TSPONPC1RAB9AALDH1A1
SCHEMBL28995164 0.78 TRPM8 (0.50) TRPM8TSPONPC1RAB9AALDH1A1
SCHEMBL29009673 0.78 POLB (0.56) TRPM8TSPOCA12CA9NPC1
SCHEMBL29009677 0.75 POLB (0.44) TRPM8TSPOCA12CA9NPC1
SCHEMBL28499158 0.74 GAA (0.36) TSPOCA12CA9ALDH1A1SMN1; SMN2
SCHEMBL29009671 0.74 POLB (0.43) TRPM8TSPOCA12CA9NPC1
SCHEMBL30758070 0.74 AKT1 (0.47) TRPM8CA12CA9L3MBTL1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116969875-A Synthesis method of thioester functionalized 2-oxoindole 南通大学 2023-10-31 CN claimed
CN-118908943-A Preparation method of indolone-substituted isocoumarin compound 内蒙古大学 2024-11-08 CN disclosed
CN-115010564-B Preparation method of o-iodophenyl compound 苏州大学 2024-03-19 CN disclosed
CN-116969875-A Synthesis method of thioester functionalized 2-oxoindole 南通大学 2023-10-31 CN disclosed
CN-115650980-A Oxindole compound and preparation method and application thereof 江西师范大学 2023-01-31 CN disclosed
CN-115010564-A Preparation method of o-iodophenyl compound 苏州大学 2022-09-06 CN disclosed
CN-114105978-A Oxindole compound and preparation method and application thereof 江西师范大学 2022-03-01 CN disclosed