SCHEMBL2680385

SCHEMBL2680385

CN(C)C(=S)N(C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 2/20 0.46
LIPE Q05469 1/20 0.40
CHRM2 P08172 3/20 0.39
ADRA2A P08913 3/20 0.39
DRD1 P21728 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 3/20 0.39
ADRA1A P35348 2/20 0.39
ADRA2B P18089 2/20 0.39
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
ADRA2C P18825 1/20 0.39
OPRK1 P41145 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 2/20 0.38
MAPK1 P28482 2/20 0.38
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11338231 0.82 CYP2D6 (0.47) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL6988798 0.81 CYP2D6 (0.46) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL9753625 0.79 CA12 (0.53) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL2741387 0.79 MGLL (0.53) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL9259760 0.78 LMNA (0.55) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL12574808 0.78 CYP2D6 (0.43) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL761923 0.77 CYP2D6 (0.46) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL14273117 0.76 HSP90AA1 (0.33) SLC6A2POLBCHRM5
SCHEMBL762423 0.74 ALDH1A1 (0.50) CYP2D6CYP2C19LIPECHRM2ADRA2A
SCHEMBL14344896 0.74 CYP2D6 (0.47) CYP2D6CYP2C19LIPECHRM2ADRA2A

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-2450026-B1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORP (US) 2023-03-15 EP disclosed
EP-2450027-B1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND TRI-BARREL PACKAGING KERR CORP (US) 2023-01-11 EP disclosed
US-9522099-B2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor KERR CORPORATION (US) 2016-12-20 US disclosed
US-9399004-B2 Dental composition having a redox indicator and method of using same KERR CORPORATION (US) 2016-07-26 US disclosed
EP-1693046-B1 Acid tolerant dental composition KERR CORP (US) 2015-07-01 EP disclosed
US-20120115978-A1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORPORATION (US) 2012-05-10 US disclosed
US-20120115106-A1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND A TRI-BARREL PACKAGING AND DELIVERY SYSTEM THEREFOR KERR CORPORATION (US) 2012-05-10 US disclosed
EP-2450026-A2 Dental composition having a redox indicator and method of using same Kerr Corporation (US) 2012-05-09 EP disclosed
EP-2450027-A2 Dental compositions having special functionality and a tri-barrel packaging and delivery system therefor Kerr Corporation (US) 2012-05-09 EP disclosed
US-7498367-B2 Acid-tolerant dental composition KERR CORPORATION (US) 2009-03-03 US disclosed
US-20060189728-A1 ACID-TOLERANT DENTAL COMPOSITION KERR CORPORATION (US) 2006-08-24 US disclosed
EP-1693046-A1 Acid tolerant dental composition Kerr Corporation (US) 2006-08-23 EP disclosed