SCHEMBL2854435

SCHEMBL2854435

O=C([CH]COC(F)F)NCc1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
HPGD P15428 3/20 0.47
LMNA P02545 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
RAB9A P51151 2/20 0.43
TP53 P04637 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL2858150 0.87 LMNA (0.52) HPGDLMNAMEN1KMT2AGAA
SCHEMBL2851648 0.87 ALDH1A1 (0.51) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL2857248 0.85 CARM1 (0.39) ALDH1A1MAOB
SCHEMBL2852748 0.79 GRM5 (0.40) HPGDLMNA
SCHEMBL2861180 0.77 MMP13 (0.46) HPGDKMT2AALDH1A1TP53
SCHEMBL2856255 0.77 GAA (0.48) GAAALDH1A1HTTL3MBTL1PLA2G1B
SCHEMBL2854437 0.75 LMNA (0.64) HPGDLMNAKMT2AGAAALDH1A1
SCHEMBL2849991 0.73 RECQL (0.51) TSHRHPGDLMNAMEN1KMT2A
SCHEMBL5071229 0.73 TGM2 (0.69) HPGDLMNAMEN1KMT2AALDH1A1
SCHEMBL28853573 0.73 LMNA (0.56) HPGDLMNAMEN1KMT2AALDH1A1

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
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP claimed
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP disclosed