SCHEMBL16587387

SCHEMBL16587387

O=C(NC(=S)N(CCO)CCO)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.61
LMNA P02545 4/20 0.61
HTT P42858 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
GAA P10253 1/20 0.61
ALOX12 P18054 4/20 0.55
CCR6 P51684 2/20 0.55
HPGD P15428 1/20 0.55
NPSR1 Q6W5P4 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
GPR55 Q9Y2T6 1/20 0.52
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL5451660 0.83 ALDH1A1 (0.68) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL7063202 0.82 ALDH1A1 (0.69) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL5447985 0.80 ALDH1A1 (0.66) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL9602160 0.79 ALDH1A1 (0.84) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL5457229 0.79 ALDH1A1 (0.57) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL16587384 0.77 ALDH1A1 (0.56) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL10400661 0.77 PKM (0.66) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL10866755 0.75 ALDH1A1 (0.56) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2
SCHEMBL154607 0.74 HPGD (0.53) ALDH1A1L3MBTL1GAAHPGDMEN1
SCHEMBL22506569 0.73 ALDH1A1 (0.58) ALDH1A1LMNAHTTL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3612609-B1 ADHESIVE COMPOSITIONS HENKEL AG & CO KGAA (DE) 2022-12-28 EP disclosed
US-11401367-B2 Functionalized accelerating resins derived from renewable materials HENKEL AG & CO. KGAA (DE) 2022-08-02 US disclosed
US-20210171810-A1 Two Step Adhesive System HENKEL AG & CO. KGAA (DE) 2021-06-10 US disclosed
US-20210163799-A1 Two-Part, Cyanoacrylate/Free Radically Curable Adhesive Systems HENKEL AG & CO. KGAA (DE) 2021-06-03 US disclosed
US-10822444-B2 Reactive resins made from renewable sources Henkel IP & Holding GmbH (DE) 2020-11-03 US disclosed
US-10590311-B2 Accelerators for two part curable compositions Henkel IP & Holding GmbH (DE) 2020-03-17 US disclosed
WO-2020035580-A1 TWO STEP ADHESIVE SYSTEMS Henkel IP & Holding GmbH (DE) 2020-02-20 WO disclosed
WO-2020037195-A1 TWO-PART, CYANOACRYLATE/FREE RADICALLY CURABLE ADHESIVE SYSTEMS Henkel IP & Holding GmbH (DE) 2020-02-20 WO disclosed
WO-2017099976-A1 FUNCTIONALIZED ACCELERATING RESINS DERIVED FROM RENEWABLE MATERIALS Henkel IP & Holding GmbH (DE) 2017-06-15 WO disclosed
WO-2017066539-A1 REACTIVE RESINS MADE FROM RENEWABLE SOURCES Henkel IP & Holding GmbH (DE) 2017-04-20 WO disclosed
US-9371473-B2 Accelerators for two step adhesive systems Henkel IP & Holding GmbH (DE) 2016-06-21 US disclosed
US-9371473-B2 Accelerators for two step adhesive systems Henkel IP & Holding GmbH (DE) 2016-06-21 US disclosed
US-9365750-B2 Accelerators for curable compositions Henkel IP & Holding GmbH (DE) 2016-06-14 US disclosed
US-9365750-B2 Accelerators for curable compositions Henkel IP & Holding GmbH (DE) 2016-06-14 US disclosed
US-8986847-B2 Accelerator/oxidant/proton source combinations for two part curable compositions Henkel IP & Holding GmbH (DE) 2015-03-24 US disclosed
US-8986847-B2 Accelerator/oxidant/proton source combinations for two part curable compositions Henkel IP & Holding GmbH (DE) 2015-03-24 US disclosed