SCHEMBL28912014

SCHEMBL28912014

CC(c1noc2ccc(-c3ccccc3)cc12)S(=O)(=O)C1=NOC(C)(C)C1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
EPHX2 P34913 2/20 0.31
HIF1A Q16665 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
MMP12 P39900 1/20 0.30

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
SCHEMBL28555817 0.86 CA12 (0.35)
SCHEMBL20870905 0.84 HTR3A (0.32)
SCHEMBL20855337 0.84 HTR3A (0.32)
SCHEMBL20855338 0.84 HTR3A (0.32)
SCHEMBL20870891 0.82 ALDH1A1 (0.33) TSHRMAPK1
SCHEMBL20871066 0.79 LMNA (0.38) F2F10GAAL3MBTL1EPHX2
SCHEMBL20870596 0.78 PTGS1 (0.35)
SCHEMBL20871127 0.78 PTGS1 (0.35)
SCHEMBL20861670 0.78 PTGS1 (0.35)
SCHEMBL20870909 0.76

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-109574945-B Isoxazoline derivatives and their use in agriculture 东莞市东阳光农药研发有限公司 2021-04-20 CN disclosed