SCHEMBL12736723

SCHEMBL12736723

Nc1ccc(NCCNCCCNCCNc2ccc(N)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 2/20 0.43
PRSS1 P07477 8/20 0.42
GAA P10253 1/20 0.39
CASP2 P42575 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
F2 P00734 2/20 0.37
PRSS2 P07478 2/20 0.37
PRSS3 P35030 2/20 0.37
TMPRSS6 Q8IU80 2/20 0.37
ST14 Q9Y5Y6 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL12712074 0.93 MAPT (0.50) APPMAPTALDH1A1PRSS1MAOA
SCHEMBL12712070 0.93 MAPT (0.50) APPMAPTALDH1A1PRSS1MAOA
SCHEMBL5155907 0.93 APP (0.50) APPMAPTALDH1A1PRSS1GAA
Hydrochloric Acid SCHEMBL5467007 0.91 APP (0.48) APPMAPTALDH1A1PRSS1GAA
SCHEMBL3989706 0.90 APP (0.46) APPMAPTALDH1A1PRSS1CASP2
SCHEMBL12736181 0.89 PRSS1 (0.48) APPMAPTALDH1A1PRSS1MAOA
Hydrochloric Acid SCHEMBL4807054 0.88 MAPT (0.46) APPMAPTALDH1A1PRSS1CASP2
SCHEMBL2024986 0.86 MAPT (0.56) APPMAPTALDH1A1PRSS1MAOA
SCHEMBL180817 0.86 APP (0.55) APPMAPTALDH1A1PRSS1GAA
SCHEMBL10904037 0.85 ALDH1A1 (0.45) APPMAPTALDH1A1PRSS1F2

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
US-20110080547-A1 LIQUID CRYSTAL DISPLAY DEVICE JAPAN DISPLAY EAST INC. (JP) 2011-04-07 US disclosed