SCHEMBL2856517

SCHEMBL2856517

O=C(Nc1ccccc1-n1cccc1)Oc1cnn(-c2ccc(OC(F)(F)F)cc2)c1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPY5R Q15761 1/20 0.41
P2RY1 P47900 9/20 0.40
MET P08581 1/20 0.38
AXL P30530 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL2854497 0.89 NPY5R (0.44) MAPTGAAKDM4ENPY5RMET
SCHEMBL2858606 0.88 P2RY1 (0.47) MAPTGAAKDM4EP2RY1MET
SCHEMBL2857444 0.83 ALDH1A1 (0.42) MAPTGAAKDM4ENPY5RALDH1A1
SCHEMBL2853031 0.83 MAPT (0.41) MAPTGAAKDM4EP2RY1MET
SCHEMBL2850389 0.81 NPY5R (0.40) MAPTGAAKDM4ENPY5RALDH1A1
SCHEMBL2850763 0.80 MAPT (0.48) MAPTGAAKDM4EP2RY1MET
SCHEMBL2857955 0.80 NPY5R (0.42) MAPTNPY5RALDH1A1
SCHEMBL2855775 0.79 P2RY1 (0.44) MAPTGAAKDM4EP2RY1MET
SCHEMBL2855275 0.79 MAPT (0.45) MAPTGAAKDM4EP2RY1MET
SCHEMBL2861646 0.77 NPC1 (0.42) MAPTGAAKDM4ENPY5RP2RY1

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
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed