SCHEMBL2854437

SCHEMBL2854437

O=C(CCOC(F)F)NCc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.64
HPGD P15428 3/20 0.61
HTT P42858 2/20 0.60
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
TP53 P04637 1/20 0.50
KMT2A Q03164 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
POLB P06746 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
FOLH1 Q04609 1/20 0.47

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
SCHEMBL2858151 0.87 KMT2A (0.52) LMNAHPGDHTTALDH1A1RAB9A
SCHEMBL2851650 0.86 TSHR (0.63) LMNAHPGDHTTALDH1A1KMT2A
SCHEMBL2857253 0.84 ALDH1A1 (0.47) LMNAHPGDHTTALDH1A1KMT2A
SCHEMBL23135876 0.81 LMNA (0.68) LMNAHPGDHTTALDH1A1RAB9A
SCHEMBL2852749 0.78 HPGD (0.43) LMNAHPGDPOLBTDP1
SCHEMBL14816841 0.76 HPGD (1.00) LMNAHPGDHTTALDH1A1KMT2A
SCHEMBL2856257 0.76 NPC1 (0.50) HTTALDH1A1RAB9ATP53KMT2A
SCHEMBL2861183 0.76 TP53 (0.47) LMNAHPGDALDH1A1TP53
SCHEMBL28313230 0.76 HPGD (0.81) LMNAHPGDHTTALDH1A1RAB9A
SCHEMBL27892112 0.76 HTT (1.00) LMNAHPGDHTTALDH1A1RAB9A

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
EP-1963277-B1 FLUORINATED COMPOUNDS NPS PHARMA INC (US) 2010-01-20 EP disclosed
WO-2007076306-A1 FLUORINATED COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 2007-07-05 WO disclosed