SCHEMBL30602802

SCHEMBL30602802

COc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C#N)c2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.46
TAS2R14 Q9NYV8 8/20 0.46
HSD11B1 P28845 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 1/20 0.43
CASP3 P42574 1/20 0.43
BMP1 P13497 1/20 0.43
ALDH1A1 P00352 1/20 0.42
APLNR P35414 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
STAT3 P40763 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41

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
SCHEMBL26276088 0.83 ACLY (0.50) ACLYTAS2R14MAOAMAOBCASP3
SCHEMBL22718046 0.81 ACLY (0.49) ACLYTAS2R14MAOAMAOBCASP3
SCHEMBL7540063 0.81 SIRT2 (0.48) TAS2R14MAOBALDH1A1TUBB4ATUBB
SCHEMBL7535538 0.79 PKM (0.56) HSD11B1TUBB4ATUBBTUBA3CSTAT3
SCHEMBL22718182 0.79 TAS2R14 (0.56) ACLYTAS2R14STAT3MAPTTP53
SCHEMBL6958238 0.78 TAS2R14 (0.64) ACLYTAS2R14MAOAMAOBCASP3
SCHEMBL29074172 0.78 TAS2R14 (0.39) ACLYTAS2R14HSD11B1ALDH1A1APLNR
SCHEMBL30129698 0.78 TAS2R14 (0.39) ACLYTAS2R14HSD11B1ALDH1A1APLNR
SCHEMBL12855750 0.77 ALDH1A1 (0.43) ACLYALDH1A1MAPT
SCHEMBL29648376 0.76 MEN1 (0.49) ACLYTAS2R14MAOAMAOBCASP3

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-119095828-A Indazole compound, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-12-06 CN disclosed
WO-2023186058-A1 INDAZOLE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2023-10-05 WO disclosed