SCHEMBL29101062

SCHEMBL29101062

COc1ccc(CCN(C#N)C(=O)C(C)(C)Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.44
ALOX5 P09917 3/20 0.44
F2RL1 P55085 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
BMP1 P13497 2/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
CALM1 P0DP23 1/20 0.39

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
SCHEMBL29101086 0.85 SMN1; SMN2 (0.39) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL29101045 0.85 TAAR1 (0.45) AOC3SIGMAR1
SCHEMBL29101074 0.83 MEN1 (0.41) AOC3ALOX5SMN1; SMN2HTTMEN1
SCHEMBL29101078 0.81 HDAC1 (0.42)
SCHEMBL29101087 0.75 TAAR1 (0.50) MEN1KMT2ASIGMAR1
SCHEMBL1025521 0.70 ALOX5 (0.52) AOC3ALOX5F2RL1SMN1; SMN2HTT
SCHEMBL29101064 0.69 ALOX5 (0.48) ALOX5MEN1RAB9AKMT2A
SCHEMBL30264517 0.68 AOC3 (0.51) AOC3ALOX5F2RL1SMN1; SMN2HTT
SCHEMBL3654575 0.68 CTSS (0.36) SIGMAR1
SCHEMBL14412444 0.67 AOC3 (0.59) AOC3ALOX5F2RL1SMN1; SMN2HTT

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-116574101-A Method for continuously preparing imidazopyridone compounds by photocatalysis 南京工业大学 2023-08-11 CN claimed
CN-116574101-A Method for continuously preparing imidazopyridone compounds by photocatalysis 南京工业大学 2023-08-11 CN disclosed