SCHEMBL4524501

SCHEMBL4524501

CNC(c1cccc(C(F)(F)F)c1)C(NC)c1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
PNMT P11086 1/20 0.50
DAO P14920 1/20 0.48
IDO1 P14902 1/20 0.47
TDO2 P48775 1/20 0.47
ACP3 P15309 1/20 0.46
SLC6A4 P31645 2/20 0.44
SLC6A2 P23975 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
IDH2 P48735 1/20 0.44
HTR2A P28223 2/20 0.43
HTR2B P41595 2/20 0.43
HTR2C P28335 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
SIGMAR1 Q99720 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ADRA2C P18825 1/20 0.41
ADRA1A P35348 1/20 0.41

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
SCHEMBL17465593 1.00 CES2 (0.50) CES2PNMTDAOIDO1TDO2
SCHEMBL29600944 1.00 CES2 (0.50) CES2PNMTDAOIDO1TDO2
SCHEMBL2538654 1.00 CES2 (0.50) CES2PNMTDAOIDO1TDO2
SCHEMBL18925489 0.92 CES2 (0.44) CES2PNMTDAOIDO1TDO2
SCHEMBL12235346 0.92 CES2 (0.44) CES2PNMTDAOIDO1TDO2
SCHEMBL10087246 0.83 PNMT (0.49) CES2PNMTDAOIDO1TDO2
SCHEMBL8259841 0.83 PNMT (0.49) CES2PNMTDAOIDO1TDO2
SCHEMBL12296386 0.83 PNMT (0.49) CES2PNMTDAOIDO1TDO2
SCHEMBL13621512 0.83 HTR1A (0.42) CES2PNMTDAOIDO1TDO2
SCHEMBL18255649 0.79 PNMT (0.49) CES2PNMTIDO1TDO2ACP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US claimed
US-7592401-B2 Multinuclear half metallocene catalyst and method for preparing syndiotatic polystyrene using the same LG CHEM, LTD. (KR) 2009-09-22 US disclosed
US-20070100095-A1 Multinuclear half metallocene catalyst and method for preparing syndiotatic polystyren using the same LG CHEM, LTD. (KR) 2007-05-03 US disclosed
EP-1777230-A1 Multinuclear half metallocene catalyst and method for preparing syndiotactic polystyrene using the same LG Chem Ltd. (KR) 2007-04-25 EP disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed
US-6989052-B1 Phase change ink printing process XEROX CORPORATION (US) 2006-01-24 US disclosed
US-20060004123-A1 PHASE CHANGE INK PRINTING PROCESS XEROX CORPORATION 2006-01-05 US disclosed