SCHEMBL8088559

SCHEMBL8088559

N=C(N)c1c(C(F)(F)F)ccc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.35
▸ KDM1A O60341 1/20 0.33
▸ IDO1 P14902 2/20 0.31
▸ F10 P00742 1/20 0.31

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
SCHEMBL18810065 0.82 HTR3E (0.42) KIF11IDO1
SCHEMBL7918733 0.82 KIF11 (0.37) KIF11
Hydrochloric Acid SCHEMBL20489739 0.81 HTR3E (0.41) KIF11IDO1
SCHEMBL20267890 0.81 CES2 (0.37) IDO1F10
SCHEMBL7916930 0.79 KIF11 (0.33) KIF11KDM1A
SCHEMBL17054742 0.78 CES2 (0.39) KIF11F10
SCHEMBL7929893 0.76 DAO (0.41) KIF11
SCHEMBL7932574 0.72 NOTUM (0.49) KIF11
SCHEMBL8160495 0.71 PDE2A (0.40) KIF11KDM1A
SCHEMBL18310653 0.71 ALOX5AP (0.34) —

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
JP-2000273078-A PRODUCTION OF AMIDINE DERIVATIVE NIPPON SODA CO LTD 2000-10-03 — — JP disclosed
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