SCHEMBL15975678

SCHEMBL15975678

[2H]C([2H])([2H])N(C(=O)CCSC)c1cn(-c2cccnc2)nc1Cl

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DGAT1 O75907 1/20 0.33
MAPK1 P28482 1/20 0.32
MAT2A P31153 1/20 0.31
MTOR P42345 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
GAA P10253 1/20 0.30
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL4967836 0.93 FAAH (0.36) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL14904701 0.90 ALDH1A1 (0.36) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL2692300 0.85 ALDH1A1 (0.37) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL15975676 0.85 ALDH1A1 (0.35) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL18627080 0.84 ALDH1A1 (0.34) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL15363521 0.84 ALDH1A1 (0.34) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL15975679 0.83 ALDH1A1 (0.32) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL15356918 0.83 NPC1 (0.36) FAAHKCNH2ALDH1A1NPC1RAB9A
SCHEMBL15975648 0.82 CACNA2D1 (0.40) ALDH1A1NPC1RAB9ADGAT1MAPK1
SCHEMBL15356920 0.82 ALDH1A1 (0.33) FAAHKCNH2ALDH1A1NPC1RAB9A

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-9708288-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-07-18 US disclosed
US-9655365-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-05-23 US disclosed
US-9591857-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-03-14 US disclosed
US-9422278-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-08-23 US disclosed
US-9282739-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2016-03-15 US disclosed
US-8937083-B2 Pesticidal compositions and processes related thereto DowAgroSciences, LLC (US) 2015-01-20 US disclosed
US-8901153-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-12-02 US disclosed
US-8815271-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES, LLC. (US) 2014-08-26 US disclosed