SCHEMBL4133399

SCHEMBL4133399

SC(c1ccccc1)C(S)c1ccccc1.[Ni]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
F2 P00734 1/20 0.45
TSHR P16473 1/20 0.45
TAAR1 Q96RJ0 2/20 0.41
HTR2A P28223 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
CES2 O00748 1/20 0.39
LMNA P02545 1/20 0.39
CES1 P23141 1/20 0.39
HRH1 P35367 1/20 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
SCHEMBL3057352 0.97 DPP4 (0.47) DPP4F2TSHRTAAR1HTR2A
SCHEMBL10790033 0.93 DPP4 (0.45) DPP4F2TSHRTAAR1HTR2A
SCHEMBL29088571 0.84 DPP4 (0.43) DPP4F2TSHRTAAR1HTR2A
SCHEMBL3996913 0.79 TSHR (0.52) DPP4F2TSHRTAAR1HTR2A
SCHEMBL775502 0.79 TAAR1 (0.50) TSHRTAAR1HTR2ACYP2D6LMNA
SCHEMBL1960097 0.79 TAAR1 (0.50) TSHRTAAR1HTR2ACYP2D6LMNA
SCHEMBL20411849 0.79 TAAR1 (0.44) DPP4TSHRTAAR1HTR2ACYP2D6
SCHEMBL12575254 0.79 TAAR1 (0.50) TSHRTAAR1HTR2ACYP2D6LMNA
SCHEMBL28196631 0.79 DPP4 (0.39) DPP4F2TSHRTAAR1HTR2A
SCHEMBL14490198 0.79 LMNA (0.44) TSHRHTR2ATDP1L3MBTL1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553432-B2 Infrared absorbent, electrophotographic toner, and image forming apparatus using electrophotographic toner FUJI XEROX CO., LTD (JP) 2009-06-30 US disclosed
US-20060019187-A1 Infrared absorbent, electrophotographic toner, and image forming apparatus using electrophotographic toner FUJI XEROX CO., LTD. (JP) 2006-01-26 US disclosed