SCHEMBL2851650

SCHEMBL2851650

O=C(CCOC(F)F)NCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
RECQL P46063 1/20 0.63
GAA P10253 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
EPHX2 P34913 1/20 0.55
LMNA P02545 3/20 0.54
ALDH1A1 P00352 3/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.51
HPGD P15428 2/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL2854437 0.86 LMNA (0.64) GAAKMT2ALMNAALDH1A1HTT
SCHEMBL2858151 0.85 KMT2A (0.52) RECQLGAAKMT2AMEN1LMNA
SCHEMBL2856257 0.83 NPC1 (0.50) KMT2AALDH1A1HTTL3MBTL1
SCHEMBL2861183 0.83 TP53 (0.47) TSHRRECQLEPHX2LMNAALDH1A1
SCHEMBL2857253 0.80 ALDH1A1 (0.47) GAAKMT2AMEN1LMNAALDH1A1
SCHEMBL2852749 0.80 HPGD (0.43) TSHRRECQLLMNAHPGD
SCHEMBL15850415 0.79 TSHR (0.69) TSHRRECQLGAAKMT2AMEN1
SCHEMBL8533502 0.79 TSHR (0.69) TSHRRECQLGAAKMT2AMEN1
SCHEMBL2849993 0.77 USP2 (0.64) TSHRRECQLGAAKMT2AMEN1
SCHEMBL10967899 0.76 GAA (0.72) TSHRRECQLGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP claimed
US-7902401-B2 Fluorinated compounds NPS PHARMACEUTICALS, INC. (US) 2011-03-08 US disclosed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP disclosed