SCHEMBL883182

SCHEMBL883182

COC(=O)c1ccnn1I

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.50
▸ PLAU P00749 1/20 0.50
▸ KLKB1 P03952 1/20 0.50
▸ ELANE P08246 1/20 0.50
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ TSHR P16473 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA7 P43166 2/20 0.35

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
SCHEMBL28199249 0.78 F2 (0.55) F2PLAUKLKB1ELANEKMT2A
SCHEMBL5531898 0.78 SMN1; SMN2 (0.58) F2PLAUKLKB1ELANEKMT2A
SCHEMBL7056151 0.78 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL18704008 0.77 F2 (0.50) F2PLAUKLKB1ELANEKMT2A
SCHEMBL31010388 0.75 — —
SCHEMBL24937400 0.74 L3MBTL1 (0.56) F2PLAUKLKB1ELANEKMT2A
SCHEMBL31242926 0.74 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL31460345 0.74 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL1430870 0.74 F2 (0.48) F2PLAUKLKB1ELANEKMT2A
SCHEMBL30700598 0.74 F2 (0.48) F2PLAUKLKB1ELANEKMT2A

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-2012038438-A1 4,7-DIHYDRO-PYRAZOLO[1,5-a]PYRAZIN-6-YLAMINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-03-29 — — WO disclosed
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