SCHEMBL16680276

SCHEMBL16680276

O=S(=O)(O)CCC(Cl)(Cl)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
TSHR P16473 2/20 0.38
CYP2D6 P10635 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA5A P35218 1/20 0.34
CA9 Q16790 1/20 0.34
PTPN1 P18031 2/20 0.34
CYP2C19 P33261 3/20 0.33
HIF1A Q16665 1/20 0.33
KIF11 P52732 3/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP2C9 P11712 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL16680106 0.89 CYP1A2 (0.38) CYP1A2TSHRCYP2D6MAPK1SMN1; SMN2
SCHEMBL23654634 0.73 DRD2 (0.51) CYP2D6
SCHEMBL8375768 0.73 TSHR (0.46) CYP1A2TSHRSMN1; SMN2CYP2C19HIF1A
SCHEMBL27621428 0.72 CYP1A2 (0.48) CYP1A2TSHRCYP2D6MAPK1SMN1; SMN2
SCHEMBL8166179 0.72 CYP1A2 (0.48) CYP1A2TSHRMAPK1PTPN1CYP2C19
SCHEMBL28021844 0.71 CYP1A2 (0.47) CYP1A2TSHRCYP2D6MAPK1SMN1; SMN2
SCHEMBL2102354 0.70 TSHR (0.48) CYP1A2TSHRMAPK1SMN1; SMN2CYP2C19
SCHEMBL11814132 0.70 TSHR (0.48) CYP1A2TSHRMAPK1SMN1; SMN2CYP2C19
SCHEMBL16680354 0.69 CYP1A2 (0.45) CYP1A2TSHRCYP2D6MAPK1SMN1; SMN2
SCHEMBL8376477 0.69 TSHR (0.42) CYP1A2TSHRSMN1; SMN2CYP2C19KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683244-B2 Method for controlling plant parasitic nematodes YAMASHITA THOMAS T (US) 2020-06-16 US disclosed
US-20190023627-A1 Compositions for Controlling Plant Parasitic Nematodes and Methods for Using Same YAMASHITA THOMAS T (US) 2019-01-24 US disclosed
US-10106472-B2 Compositions for controlling plant parasitic nematodes and methods for using same YAMASHITA THOMAS T (US) 2018-10-23 US disclosed
US-20170226024-A1 Compositions for Controlling Plant Parasitic Nematodes and Methods for Using Same YAMASHITA THOMAS T (US) 2017-08-10 US disclosed
US-9661857-B2 Compositions for controlling plant parasitic nematodes YAMASHITA THOMAS T (US) 2017-05-30 US disclosed
EP-2984060-A1 COMPOSITIONS FOR CONTROLLING PLANT PARASITIC NEMATODES AND METHODS FOR USING SAME Yamashita, Thomas T. (US) 2016-02-17 EP disclosed
US-20150125435-A1 Compositions for Controlling Plant Parasitic Nematodes and Methods for Using Same YAMASHITA THOMAS T (US) 2015-05-07 US disclosed
WO-2015065581-A1 COMPOSITIONS FOR CONTROLLING PLANT PARASITIC NEMATODES AND METHODS FOR USING SAME YAMASHITA THOMAS T (US) 2015-05-07 WO disclosed