SCHEMBL13174690

SCHEMBL13174690

COc1c(F)cc2[nH]c(C(=O)O)cc2c1F

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 3/20 0.52
IDO1 P14902 8/20 0.45
TDO2 P48775 8/20 0.45
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
GRIN1 Q05586 1/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RHEB Q15382 2/20 0.41
FLT3 P36888 1/20 0.40
PDPK1 O15530 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
APEX1 P27695 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL22395159 0.80 EIF4A3 (0.57) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL29946251 0.80 EIF4A3 (0.57) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL24113411 0.79 GRIN1 (0.51) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL2492396 0.79 IDO1 (0.51) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL20504988 0.76 EIF4A3 (0.56) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL16065318 0.76 GRIN2D (0.37) KDM4EHPGDGRIN1ALDH1A1LMNA
SCHEMBL2908763 0.75 KDM4E (0.59) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL1957687 0.74 KDM4E (0.53) EIF4A3IDO1TDO2KDM4EHPGD
SCHEMBL19332395 0.73 ULK1 (0.50) EIF4A3KDM4EMEN1KMT2AFLT3
SCHEMBL13173650 0.73 THRA (0.57) EIF4A3IDO1TDO2KDM4EHPGD

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-2010101127-A1 INDOLE COMPOUND アステラス製薬株式会社 (JP) 2010-09-10 WO disclosed