SCHEMBL29250332

SCHEMBL29250332

N#CCS(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 17/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.42
CYP2C9 P11712 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 1/20 0.41
SLC22A11 Q9NSA0 1/20 0.41
HSD11B1 P28845 1/20 0.40

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
SCHEMBL10292998 0.78 KMT2A (0.53) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL21995210 0.78 TRPV4 (0.43) SLC22A12KMT2AALDH1A1
SCHEMBL31514065 0.78 TRPV4 (0.43) SLC22A12KMT2AALDH1A1
SCHEMBL30583819 0.77 KCNA5 (0.39) KMT2AALDH1A1
SCHEMBL6543513 0.77 KCNA5 (0.39) KMT2AALDH1A1
SCHEMBL4074736 0.76 SLC22A12 (0.49) SLC22A12
SCHEMBL28137689 0.75 KCNA5 (0.38) KMT2AALDH1A1
SCHEMBL696558 0.74 MEN1 (0.49) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL8763365 0.74 MEN1 (0.49) SLC22A12MEN1KMT2AALDH1A1CYP2C9
SCHEMBL1148926 0.74 MEN1 (0.49) SLC22A12MEN1KMT2AALDH1A1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116675663-A Preparation method of coumarin compound and application of coumarin compound in neuroprotection 兰州交通大学 2023-09-01 CN claimed