SCHEMBL16587385

SCHEMBL16587385

COc1ccc(NC(=S)NC(=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.78
KMT2A Q03164 4/20 0.78
CA1 P00915 1/20 0.78
CA2 P00918 1/20 0.78
CA9 Q16790 1/20 0.78
MAPT P10636 7/20 0.74
MEN1 O00255 2/20 0.74
MAPK1 P28482 1/20 0.72
SMN1; SMN2 Q16637 6/20 0.72
LMNA P02545 2/20 0.72
RAB9A P51151 4/20 0.70
NPC1 O15118 3/20 0.70
TP53 P04637 1/20 0.70
ALOX15 P16050 1/20 0.70
CRHBP P24387 1/20 0.69
CRHR2 Q13324 1/20 0.69
SIRT2 Q8IXJ6 2/20 0.67
KDM4E B2RXH2 1/20 0.67
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66

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
SCHEMBL5445748 0.94 NPC1 (0.73) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL14096501 0.94 ALDH1A1 (0.70) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL14096470 0.93 ALDH1A1 (0.74) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL14096442 0.92 EPHX1 (0.76) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL16587389 0.92 NPC1 (0.77) ALDH1A1KMT2ACA1CA2CA9
Hydrochloric Acid SCHEMBL3718186 0.92 ALDH1A1 (0.71) ALDH1A1KMT2ACA1CA2CA9
Hydrochloric Acid SCHEMBL3718192 0.92 ALDH1A1 (0.71) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL2347796 0.92 ALDH1A1 (0.67) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL13454583 0.89 ALDH1A1 (0.80) ALDH1A1KMT2ACA1CA2CA9
SCHEMBL28563499 0.89 MAPK1 (0.67) ALDH1A1KMT2ACA1CA2CA9

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 12 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-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-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
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