SCHEMBL4056345

SCHEMBL4056345

[O-][n+]1ccc(-c2ccc(C(F)(F)F)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.49
FEN1 P39748 6/20 0.44
ALOX5AP P20292 5/20 0.44
S1PR1 P21453 1/20 0.44
KIF11 P52732 1/20 0.43
MPL P40238 1/20 0.43
AKR1C3 P42330 2/20 0.42
AKR1C2 P52895 2/20 0.42
GRM2 Q14416 1/20 0.41
IDO1 P14902 1/20 0.40
PDE2A O00408 1/20 0.38
HSD11B1 P28845 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
SCHEMBL1934910 0.81 S1PR1 (0.43) APPS1PR1PDE2A
SCHEMBL5121382 0.79 APP (0.57) APPFEN1ALOX5APKIF11MPL
SCHEMBL133385 0.77 S1PR1 (0.60) S1PR1KIF11
SCHEMBL27586620 0.76 APP (0.54) APPFEN1ALOX5APKIF11MPL
SCHEMBL1935103 0.74 TRPA1 (0.44) IDO1
SCHEMBL4649439 0.73 RORC (0.54) APPFEN1ALOX5APKIF11AKR1C3
SCHEMBL13743069 0.73 KIF11 (0.65) APPFEN1ALOX5APKIF11
SCHEMBL4418949 0.72 APP (0.54) APPFEN1ALOX5APKIF11MPL
SCHEMBL16900276 0.72 APP (0.57) APPFEN1ALOX5APKIF11AKR1C3
SCHEMBL1934713 0.71 TRPA1 (0.46) S1PR1KIF11IDO1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009120655-A1 INDOLE DERIVATIVES H. LUNDBECK A/S (DK) 2009-10-01 WO disclosed