SCHEMBL8959808

SCHEMBL8959808

O=C(O)c1cc2cc(F)c(C(F)(F)F)cc2[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4A3 P38919 3/20 0.57
GPR35 Q9HC97 1/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 4/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 3/20 0.53
LMNA P02545 2/20 0.53
PDPK1 O15530 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
APEX1 P27695 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMAD3 P84022 1/20 0.46
F7 P08709 1/20 0.45
F3 P13726 1/20 0.45
PIN1 Q13526 1/20 0.45
SRD5A2 P31213 3/20 0.45
DAO P14920 2/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1822934 0.83 EIF4A3 (0.68) EIF4A3GPR35KDM4EHSD17B10HPGD
SCHEMBL22747185 0.83 GPR35 (0.51) EIF4A3GPR35KDM4EHSD17B10HPGD
SCHEMBL8959784 0.79 ALDH1A1 (0.58) EIF4A3KDM4EHSD17B10HPGDALDH1A1
SCHEMBL10003114 0.79 FGFR1 (0.39) EIF4A3GPR35KDM4EHSD17B10HPGD
SCHEMBL9232962 0.77 EGLN1 (0.39) EIF4A3EGLN1FGFR1FGFR2FGFR3
SCHEMBL3639230 0.77 EIF4A3 (0.60) EIF4A3GPR35KDM4EHSD17B10HPGD
SCHEMBL17429451 0.77 EIF4A3 (0.65) EIF4A3GPR35KDM4EHSD17B10HPGD
SCHEMBL30147531 0.75 EIF4A3 (0.77) EIF4A3GPR35KDM4EHSD17B10HPGD
SCHEMBL29301295 0.75 EIF4A3 (0.77) EIF4A3GPR35KDM4EHSD17B10HPGD
SCHEMBL16915508 0.75 GPR35 (0.43) EIF4A3GPR35KDM4EHSD17B10HPGD

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
CN-1061341-C 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 2001-01-31 CN disclosed
US-5494928-A FOR CENTRAL NERVOUS SYSTEM DISORDERS, BLOCKING SEROTONIN RECEPTORS, ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1996-02-27 US disclosed
CN-1105988-A 1-amino-ethylindole-derivatives HOFFMANN LA ROCHE (CH) 1995-08-02 CN disclosed
EP-0655440-A2 1-Aminoethylindoles F. HOFFMANN-LA ROCHE AG (CH) 1995-05-31 EP disclosed