SCHEMBL14476938

SCHEMBL14476938

CNc1cc(C(F)(F)F)ccc1N=N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ PDE2A O00408 2/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ MCL1 Q07820 4/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ CYP2C19 P33261 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ GAA P10253 2/20 0.33
▸ CES2 O00748 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GFER P55789 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
SCHEMBL20274108 0.82 KIF11 (0.43) KIF11MEN1KMT2AALOX15TSHR
SCHEMBL9285908 0.77 CES2 (0.46) KIF11MEN1KMT2AALOX15TSHR
SCHEMBL19848401 0.77 LMNA (0.37) MEN1KMT2AALOX15TSHRHSD17B10
SCHEMBL15714285 0.77 KIF11 (0.50) KIF11MEN1KMT2AALOX15TSHR
SCHEMBL9226616 0.73 TAS2R14 (0.50) KIF11MEN1KMT2AALOX15TSHR
SCHEMBL9226482 0.73 MEN1 (0.47) KIF11MEN1KMT2AALOX15TSHR
SCHEMBL30167000 0.72 ALDH1A1 (0.46) KIF11MEN1KMT2AALOX15TSHR
SCHEMBL118960 0.72 ALDH1A1 (0.46) KIF11MEN1KMT2AALOX15TSHR
SCHEMBL883518 0.72 MCL1 (0.51) TSHRMCL1CYP1A2GAAALDH1A1
SCHEMBL13894365 0.72 MEN1 (0.62) KIF11MEN1KMT2AALOX15TSHR

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-2013001088-A1 DIRECT SYNTHESIS OF 18F-FLUOROMETHOXY COMPOUNDS FOR PET IMAGING AND THE PROVISION OF NEW PRECURSORS FOR DIRECT RADIOSYNTHESIS OF PROTECTED DERIVATIVES OF O-([18F]FLUOROMETHYL) TYROSINE PIRAMAL IMAGING SA (CH) 2013-01-03 — — WO disclosed
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