SCHEMBL16618816

SCHEMBL16618816

CC(C)c1cc(S(N)(=O)=O)ccc1C(N)=O.COc1ccccc1C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.46
CA2 P00918 7/20 0.46
CA9 Q16790 7/20 0.46
CA12 O43570 5/20 0.46
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CAMKK2 Q96RR4 3/20 0.43
GSK3B P49841 2/20 0.43
PIK3CG P48736 2/20 0.43
MAPK8 P45983 2/20 0.43
GAA P10253 2/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
KAT6A Q92794 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
SCHEMBL29288345 0.86 SMN1; SMN2 (0.44) CA1CA2CA9CA12KCNK3
SCHEMBL586238 0.81 KAT6A (0.52) CA1CA2CA9KCNK3KCNK9
SCHEMBL10317009 0.77 GAA (0.54) CA1CA2CA9CA12CA7
SCHEMBL12490075 0.74 CA2 (0.55) CA1CA2CA9CA12CA7
SCHEMBL10740742 0.74 GAA (0.54) CA1CA2CA9CA12KDM4E
SCHEMBL7144405 0.74 GAA (0.65) CA1CA2CA9CA12CA7
SCHEMBL11408239 0.74 GAA (0.65) CA1CA2CA9CA12CA7
SCHEMBL29598834 0.74 GAA (0.65) CA1CA2CA9CA12CA7
Hydrochloric Acid SCHEMBL11537120 0.73 GAA (0.63) CA1CA2CA9CA12CA7
SCHEMBL9092422 0.73 TSHR (0.58) CA1CA2CA9CA12ALDH1A1

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
EP-3051947-A1 HERBICIDE-SAFENER COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES Bayer CropScience Aktiengesellschaft (DE) 2016-08-10 EP disclosed
WO-2015049225-A1 HERBICIDE-SAFENER COMPOSITIONS CONTAINING N-(1,3,4-OXADIAZOL-2-YL)ARYL CARBOXYLIC ACID AMIDES BAYER CROPSCIENCE AG (DE) 2015-04-09 WO disclosed