SCHEMBL4023626

SCHEMBL4023626

Fc1cc(F)cc(OCCCCl)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.40
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
DRD3 P35462 2/20 0.35
IDO1 P14902 2/20 0.33
MAPT P10636 1/20 0.32
KCNA3 P22001 1/20 0.32
KDM1A O60341 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31

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
SCHEMBL1347871 0.79 SOD1 (0.39) SOD1
SCHEMBL9242292 0.79 LTA4H (0.45)
SCHEMBL5976371 0.79 SOD1 (0.39) SOD1DRD2DRD4DRD3IDO1
SCHEMBL3064784 0.79 SOD1 (0.39) SOD1DRD2DRD4DRD3IDO1
SCHEMBL5659153 0.79 MAOB (0.45)
SCHEMBL7823301 0.77 SOD1 (0.38) SOD1KCNA3
SCHEMBL18205445 0.77 RAB9A (0.31) DRD2DRD4DRD3MAPTKCNA3
SCHEMBL3054211 0.76 SOD1 (0.40) SOD1IDO1MAPTKDM1AFGFR1
SCHEMBL3922161 0.76 ALDH1A1 (0.48) SOD1
SCHEMBL6793710 0.76 KAT6A (0.43) SOD1FGFR1FGFR2

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
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed
WO-2009103022-A1 DERIVATIVES OF SUBSTITUTED FUSED RING CYCLOINDOLES AND METHODS OF THEIR USE ITHERX PHARMACEUTICALS, INC. (US) 2009-08-20 WO disclosed