SCHEMBL8723965

SCHEMBL8723965

O=C(Nc1cccc(F)c1)c1cncc(Oc2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 5/20 0.63
P2RY1 P47900 1/20 0.53
MAPT P10636 3/20 0.52
GAA P10253 3/20 0.52
KDR P35968 3/20 0.51
RAB9A P51151 1/20 0.49
KDM4E B2RXH2 2/20 0.48
MAPK1 P28482 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 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
SCHEMBL8720589 0.93 NTRK1 (0.58) NTRK1P2RY1MAPTGAAKDR
SCHEMBL6944159 0.91 NTRK1 (0.61) NTRK1P2RY1MAPTGAAKDR
SCHEMBL8721207 0.91 NTRK1 (0.63) NTRK1P2RY1MAPTGAARAB9A
SCHEMBL7953393 0.89 MAPT (0.64) NTRK1P2RY1MAPTGAAKDR
SCHEMBL8721193 0.86 NPSR1 (0.60) NTRK1P2RY1MAPTGAARAB9A
SCHEMBL8721048 0.86 GAA (0.59) NTRK1MAPTGAAKDRRAB9A
SCHEMBL8720588 0.84 P2RY1 (0.56) NTRK1P2RY1MAPTGAARAB9A
SCHEMBL7953536 0.82 MAPT (0.69) NTRK1MAPTGAAKDRRAB9A
SCHEMBL8725895 0.81 NTRK1 (0.58) NTRK1MAPTGAARAB9AKDM4E
SCHEMBL8721030 0.80 MAPT (0.55) NTRK1MAPTGAARAB9AKDM4E

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-0700391-B1 HERBICIDAL COMPOUNDS SHELL INT RESEARCH (NL) 1998-10-21 EP claimed