SCHEMBL16680275

SCHEMBL16680275

O=S(=O)(O)C(Cl)(Cl)CCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
GFER P55789 1/20 0.46
PMP22 Q01453 1/20 0.46
KEAP1 Q14145 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA2 P00918 4/20 0.39
CA1 P00915 2/20 0.39
CA9 Q16790 1/20 0.39
HDAC3 O15379 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL16680105 0.89 HDAC3 (0.44) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL18785764 0.78 ALDH1A1 (0.47) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL9119940 0.78 ALDH1A1 (0.43) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL8905009 0.76 BLM (0.44) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL25476052 0.74 ALDH1A1 (0.43) BLMALDH1A1KDM4ELMNACYP3A4
Sulfuric Acid SCHEMBL1607638 0.74 ALDH1A1 (0.65) BLMALDH1A1KDM4ELMNACYP3A4
Trifluoromethanesulfonic Acid SCHEMBL3362549 0.74 ALDH1A1 (0.50) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL9119441 0.73 ALDH1A1 (0.42) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL28318468 0.73 KDM4E (0.46) BLMALDH1A1KDM4ELMNACYP3A4
SCHEMBL8375764 0.73 MAOB (0.44) BLMALDH1A1KEAP1TDP1HDAC3

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