SCHEMBL1411552

SCHEMBL1411552

O=S(=O)(Cc1c(F)cccc1F)c1ncco1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
GRM4 Q14833 10/20 0.39
AKR1B1 P15121 2/20 0.37
HSD11B1 P28845 1/20 0.36
MAPT P10636 2/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CD38 P28907 1/20 0.31
CTSA P10619 1/20 0.31

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
SCHEMBL3891828 0.87 NPC1 (0.34) KDM4EGRM4AKR1B1MAPTMAPK1
SCHEMBL1411642 0.84 KDM4E (0.36) KDM4EGRM4AKR1B1MAPTMITF
SCHEMBL1411476 0.81 AKR1B1 (0.44) KDM4EGRM4AKR1B1MAPTMITF
SCHEMBL1411742 0.76 ALDH1A1 (0.44) KDM4EAKR1B1MAPTLMNAHPGD
SCHEMBL1411592 0.75 PSEN1 (0.51) GRM4MAPTHPGDHTTALDH1A1
SCHEMBL1411788 0.74 KDM4E (0.32) KDM4EAKR1B1SMN1; SMN2
SCHEMBL2203131 0.73
SCHEMBL4630244 0.70 PSIP1 (0.32)
SCHEMBL1410968 0.69 HTT (0.41) KDM4EMAPTLMNAHPGDMAPK1
SCHEMBL1028093 0.66 GAA (0.32) MAPTLMNAHTTSMN1; SMN2ALDH1A1

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-2294058-A1 2-(BENZYLSULFONYL)-OXAZOLE DERIVATIVES, CHIRAL 2- (BENZYLSULFINYL) -OXAZOLE DERIVATIVES AND 2-(BENZYLSULFANYL)-OXAZOLE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND USE THEREOF AS HERBICIDES AND PLANT GROWTH REGULATORS Bayer CropScience AG (DE) 2011-03-16 EP disclosed
WO-2009129953-A1 2-(BENZYLSULFONYL)-OXAZOLE DERIVATIVES, CHIRAL 2- (BENZYLSULFINYL) -OXAZOLE DERIVATIVES AND 2-(BENZYLSULFANYL)-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