SCHEMBL4618658

SCHEMBL4618658

CCc1ccccc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.38
GABRB2 P47870 4/20 0.38
TP53 P04637 1/20 0.37
MGLL Q99685 1/20 0.35
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CLCN2 P51788 1/20 0.33
PSIP1 O75475 1/20 0.32
FFAR1 O14842 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL3204227 0.84 GABRA1 (0.38) GABRA1GABRB2TP53MGLLMAPT
Trifluoromethanesulfonic Acid SCHEMBL6757918 0.83 GPR3 (0.38) GABRA1GABRB2
SCHEMBL6757903 0.82 LMNA (0.48) NPSR1L3MBTL1CYP2D6
SCHEMBL4650920 0.80 LIPG (0.41) CYP2D6
SCHEMBL3206212 0.79 CYP1A2 (0.46) TP53MAPTNPSR1L3MBTL1
SCHEMBL3194675 0.79 CYP1A2 (0.41) TP53MAPTNPSR1L3MBTL1
SCHEMBL3206085 0.78 GABRA1 (0.43) GABRA1GABRB2TP53MGLLMAPT
SCHEMBL31005131 0.78 APOBEC3G (0.40) MAPTNPSR1L3MBTL1FFAR1
SCHEMBL3203737 0.78 APOBEC3G (0.40) MAPTNPSR1L3MBTL1FFAR1
SCHEMBL7645767 0.78 ALDH1A1 (0.35)

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
EP-1885819-A2 PRETREATMENT COMPOSITIONS FujiFilm Electronic Materials USA, Inc. (US) 2008-02-13 EP disclosed
WO-2006132906-A2 PRETREATMENT COMPOSITIONS FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) 2006-12-14 WO disclosed
EP-1113005-B1 Sulfonium salt compounds WAKO PURE CHEM IND LTD (JP) 2003-08-06 EP disclosed
EP-1113005-A1 Sulfonium salt compounds Wako Pure Chemical Industries, Ltd. (JP) 2001-07-04 EP disclosed