SCHEMBL1028459

SCHEMBL1028459

O=S(=O)(NS(=O)(=O)c1ccccc1F)c1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 7/20 0.53
EDNRA P25101 2/20 0.51
ALDH1A1 P00352 2/20 0.51
GBA1 P04062 1/20 0.50
EDNRB P24530 1/20 0.49
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SLC22A12 Q96S37 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL31068217 0.90 ALDH1A1 (0.53) KAT6AEDNRAALDH1A1GBA1EDNRB
SCHEMBL624320 0.90 ALDH1A1 (0.53) KAT6AEDNRAALDH1A1GBA1EDNRB
SCHEMBL24385370 0.89 KAT6A (0.49) KAT6AEDNRAALDH1A1GBA1EDNRB
SCHEMBL8779451 0.84 KAT6A (0.51) KAT6AEDNRAALDH1A1GBA1EDNRB
SCHEMBL15973217 0.82 KAT6A (0.50) KAT6AEDNRAALDH1A1GBA1EDNRB
SCHEMBL1767641 0.82 CA1 (0.56) KAT6AALDH1A1GBA1PSEN1PSEN2
SCHEMBL420408 0.82 GBA1 (0.51) KAT6AEDNRAALDH1A1GBA1EDNRB
SCHEMBL1621373 0.82 ALDH1A1 (0.67) KAT6AEDNRAALDH1A1GBA1EDNRB
SCHEMBL7163015 0.79 ALDH1A1 (0.68) KAT6AEDNRAALDH1A1KMT2AGAA
SCHEMBL426957 0.79 PSEN1 (0.47) KAT6AEDNRAALDH1A1GBA1EDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2274305-A2 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFONYL]-OXAZOLE DERIVATIVES, 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFANYL]-OXAZOLE DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFINYL]-OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2011-01-19 EP disclosed
WO-2009129954-A2 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFONYL]-OXAZOLE DERIVATIVES, 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFANYL]-OXAZOLE DERIVATIVES, AND CHIRAL 2-[(1H-PYRAZOLE-4-YLMETHYL)-SULFINYL]-OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2009-10-29 WO disclosed
EP-2112143-A1 2-(benzylsulfonyl)-oxazol-derivatives, chiral 2-(benzylsulfinyl]-oxazol derivatives, 2-(benzylsulfanyl-oxazol) derivatives, process for their preparation, as well as their use as herbicide and plant growth regulators Bayer CropScience AG (DE) 2009-10-28 EP disclosed