SCHEMBL13700877

SCHEMBL13700877

N/C=C(/N)C(=O)Nc1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 9/20 0.35
CA2 P00918 9/20 0.35
NPC1 O15118 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4610474 0.72 GAA (0.45) GAAHTTLMNARAB9ATSHR
SCHEMBL13700872 0.71 ALDH1A1 (0.60) GAARAB9ACA1CA2NPC1
SCHEMBL23883156 0.70 GAA (0.43) GAAHTTLMNARAB9ATSHR
SCHEMBL3077004 0.67 ALDH1A1 (0.42) GAAHTTLMNARAB9ATSHR
SCHEMBL21810569 0.66 GAA (0.55) GAAHTTLMNARAB9ATSHR
SCHEMBL3068709 0.65 GAA (0.53) GAAHTTLMNARAB9ATSHR
SCHEMBL21112014 0.65 RXFP1 (0.40) GAAHTTLMNARAB9ATSHR
SCHEMBL2089237 0.64 GAA (0.46) GAAHTTLMNARAB9ATSHR
SCHEMBL2089240 0.64 GAA (0.46) GAAHTTLMNARAB9ATSHR
SCHEMBL3068715 0.64 GAA (0.42) GAAHTTLMNARAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009109499-A1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2009-09-11 WO disclosed