SCHEMBL6200065

SCHEMBL6200065

O=C(CNC(=O)c1ccccc1C(F)(F)F)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.47
SCD O00767 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
POLB P06746 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
PTGS1 P23219 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
P2RX7 Q99572 1/20 0.41

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
SCHEMBL23014140 0.89 GAA (0.57) GAALMNASMN1; SMN2SCDALDH1A1
SCHEMBL23014314 0.86 GAA (0.60) GAALMNASCDALDH1A1POLB
SCHEMBL23014481 0.83 MAPT (0.53) GAALMNASMN1; SMN2SCDALDH1A1
SCHEMBL15401635 0.78 LMNA (0.55) GAALMNASMN1; SMN2SCDALDH1A1
SCHEMBL4007613 0.78 GAA (0.62) GAALMNASMN1; SMN2ALDH1A1KCNK3
SCHEMBL2888751 0.78 LMNA (0.66) GAALMNASMN1; SMN2KCNK3KCNK9
SCHEMBL30748278 0.78 LMNA (0.66) GAALMNASMN1; SMN2KCNK3KCNK9
SCHEMBL16711830 0.77 LMNA (0.47) GAALMNASMN1; SMN2SCDALDH1A1
SCHEMBL30365971 0.74 LMNA (0.60) GAALMNASMN1; SMN2KCNK3KCNK9
SCHEMBL17713026 0.74 LMNA (0.52) GAALMNASMN1; SMN2KCNK3KCNK9

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
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed