SCHEMBL29547482

SCHEMBL29547482

CSc1cc(C(F)(F)F)ccc1C(=O)c1cnoc1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.49
SLC6A9 P48067 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
THRB P10828 1/20 0.39
PIM1 P11309 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2A P28223 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
SCHEMBL8489345 1.00 DHODH (0.49) DHODHSLC6A9MEN1KMT2ARAB9A
SCHEMBL8606601 0.86 DHODH (0.45) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8212071 0.84 DHODH (0.46) DHODHSLC6A9MEN1KMT2ARAB9A
SCHEMBL8888473 0.84 DHODH (0.36) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8493385 0.84 DHODH (0.43) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8891126 0.84 DHODH (0.41) DHODHSLC6A9MEN1KMT2ARAB9A
SCHEMBL8891934 0.84 DHODH (0.41) DHODHSLC6A9MEN1KMT2ARAB9A
SCHEMBL8492364 0.83 HPGD (0.37) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL7573020 0.83 DHODH (0.47) DHODHMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL8494851 0.83 DHODH (0.53) DHODHMEN1KMT2ARAB9ASMN1; SMN2

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-109553586-B Preparation method of herbicide isoxaflutole key intermediate 南京正荣医药化学有限公司 2022-09-13 CN claimed
CN-115745905-B Synthetic method of isoxaflutole and intermediate thereof 安徽宁亿泰科技有限公司 2023-11-24 CN disclosed
CN-115745905-A Synthesis method of isoxaflutole and intermediate thereof 安徽宁亿泰科技有限公司 2023-03-07 CN disclosed
CN-111848469-B Isoxazole herbicide intermediate and preparation method thereof 帕潘纳(北京)科技有限公司 2022-10-28 CN disclosed
CN-109553586-B Preparation method of herbicide isoxaflutole key intermediate 南京正荣医药化学有限公司 2022-09-13 CN disclosed
CN-109553586-B Preparation method of herbicide isoxaflutole key intermediate 南京正荣医药化学有限公司 2022-09-13 CN disclosed
CN-114456095-A Preparation method of isoxazole compound and intermediate thereof 北京颖泰嘉和生物科技股份有限公司 2022-05-10 CN disclosed