SCHEMBL4553745

SCHEMBL4553745

FC(F)(F)c1ccc(-c2ccc(NNc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
KCNMA1 Q12791 1/20 0.34
PFKFB3 Q16875 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
TDP2 O95551 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
SCHEMBL3325750 0.85 PSEN1 (0.42) KIF11KCNMA1PSEN1PSEN2APH1B
SCHEMBL3579491 0.84 PSEN1 (0.47) KIF11KCNMA1PSEN1PSEN2APH1B
SCHEMBL13298692 0.83 KIF11 (0.41) KIF11TDP2
SCHEMBL3330308 0.83 DDR1 (0.38) KIF11
SCHEMBL2890988 0.80 HDAC2 (0.45) KIF11
SCHEMBL3580763 0.78 PSEN1 (0.45) KCNMA1PSEN1PSEN2APH1BNCSTN
SCHEMBL3574142 0.77 PSEN1 (0.44) KCNMA1PSEN1PSEN2APH1BNCSTN
SCHEMBL3577053 0.77 KDR (0.51)
SCHEMBL3329979 0.76 KIF11 (0.41) KIF11TDP2
SCHEMBL3584713 0.76 MTOR (0.41) KIF11PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121640-A1 NOVEL SEMICARBAZIDE AND CARBONYLHYDRAZIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch AS (DK) 2009-11-25 EP claimed
WO-2008087177-A1 NOVEL SEMICARBAZIDE AND CARBONYLHYDRAZIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-07-24 WO claimed