SCHEMBL28178606

SCHEMBL28178606

N=C(N)Nc1ccc(CBr)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 4/20 0.38
▸ F2 P00734 3/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ TMPRSS6 Q8IU80 1/20 0.38
▸ ST14 Q9Y5Y6 1/20 0.38
▸ GRIN2D O15399 1/20 0.37
▸ GRIN3B O60391 1/20 0.37
▸ GRIN1 Q05586 1/20 0.37
▸ GRIN2A Q12879 1/20 0.37
▸ GRIN2B Q13224 1/20 0.37
▸ GRIN2C Q14957 1/20 0.37
▸ GRIN3A Q8TCU5 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ PLG P00747 3/20 0.36
▸ PLAU P00749 3/20 0.36
▸ PLAT P00750 3/20 0.36
▸ KLKB1 P03952 3/20 0.36
▸ ADRA2A P08913 2/20 0.36
▸ ADRA2B P18089 2/20 0.36

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
SCHEMBL31490984 0.94 KIF11 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3785285 0.83 AOC3 (0.45) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1743186 0.83 ADRA2A (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1996992 0.82 F2 (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL327252 0.81 LOXL2 (0.54) PRSS1ST14PLGPLAUPLAT
SCHEMBL20553484 0.81 PRSS1 (0.54) PRSS1F2PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL6157588 0.79 PRSS1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL3772999 0.79 GRIN2D (0.58) PRSS1F2GRIN2DGRIN3BGRIN1
SCHEMBL6645356 0.79 PRSS1 (0.38) PRSS1F2PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL7443406 0.79 LOXL2 (0.52) PRSS1PLGPLAUPLATKLKB1

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
CN-107141266-B A kind of heterocyclic compound and preparation method thereof for treating Alzheimer disease 佳木斯大学附属第医院 2019-04-09 — — CN disclosed
CN-107141266-A It is a kind of to be used to treat heterocyclic compound of Alzheimer disease and preparation method thereof 佳木斯大学附属第医院 2017-09-08 — — CN disclosed
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