SCHEMBL4814840

SCHEMBL4814840

C=C(CC(c1ccccc1)S(=O)(=O)O)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.47
ALDH1A1 P00352 1/20 0.39
CYP2C19 P33261 5/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP1A2 P05177 1/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
EPHX1 P07099 1/20 0.37
LMNA P02545 3/20 0.36
MAPK1 P28482 2/20 0.36
KMT2A Q03164 1/20 0.36
SLC6A3 Q01959 3/20 0.36
DRD3 P35462 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
EDNRB P24530 1/20 0.36
MC4R P32245 1/20 0.36
MC3R P41968 1/20 0.36

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
SCHEMBL8814382 0.87 SRC (0.50) SRCALDH1A1CYP2C19CYP2D6SMN1; SMN2
SCHEMBL9304771 0.79 SRC (0.57) SRCALDH1A1CYP2C19GABBR2GABBR1
SCHEMBL2215724 0.78 GABBR2 (0.42) SRCALDH1A1CYP2C19GABBR2GABBR1
SCHEMBL10386606 0.76 KMT2A (0.56) SRCALDH1A1CYP2C19CYP2D6SMN1; SMN2
SCHEMBL10591291 0.75 TAAR1 (0.47) ALDH1A1CYP2C19
SCHEMBL8993199 0.75 SRC (0.52) SRCALDH1A1CYP2C19GABBR2GABBR1
SCHEMBL22014331 0.75 TSHR (0.56) SRCALDH1A1CYP2C19CYP1A2SMN1; SMN2
SCHEMBL22014067 0.75 TSHR (0.56) SRCALDH1A1CYP2C19CYP1A2SMN1; SMN2
SCHEMBL6677049 0.75 TSHR (0.56) SRCALDH1A1CYP2C19CYP1A2SMN1; SMN2
SCHEMBL10909571 0.75 KMT2A (0.58) SRCALDH1A1CYP2C19CYP2D6SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7323282-B2 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2008-01-29 US disclosed
US-20070231729-A1 DRY TONER, METHOD FOR PRODUCING DRY TONER, AND METHOD FOR FORMING AN IMAGE CANON KABUSHIKI KAISHA (JP) 2007-10-04 US disclosed
US-7252917-B2 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2007-08-07 US disclosed
US-20040191661-A1 Dry toner, method for producing dry toner, and method for forming an image CANON KABUSHIKI KAISHA (JP) 2004-09-30 US disclosed