SCHEMBL15975672

SCHEMBL15975672

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

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
HTT P42858 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP2C19 P33261 1/20 0.31
DGAT1 O75907 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAP3K5 Q99683 1/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 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
SCHEMBL10236114 0.94 ALDH1A1 (0.34) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL15975668 0.90 NPC1 (0.35) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL15975719 0.90 NPC1 (0.34) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL15975671 0.89 LMNA (0.33) NPC1RAB9ADGAT1ALDH1A1MAPK1
SCHEMBL15349428 0.87 NPC1 (0.36) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL18627040 0.87 HTT (0.34) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL15357031 0.87 CYP3A4 (0.33) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL15356934 0.87 DGAT1 (0.36) NPC1RAB9AHTTCYP3A4CYP2C9
SCHEMBL14904605 0.87 TP53 (0.34) NPC1RAB9ACYP3A4CYP2C9CYP2B6
SCHEMBL15975691 0.87 ALDH1A1 (0.33) NPC1RAB9AHTTCYP3A4CYP2C9

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