SCHEMBL8722330

SCHEMBL8722330

N#CC(C#N)=Cc1ccc(N=Nc2ccc(N3CC(O)C(O)C3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.56
KMT2A Q03164 11/20 0.56
MAPT P10636 11/20 0.56
ALDH1A1 P00352 10/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
LMNA P02545 6/20 0.47
KDM4E B2RXH2 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
POLB P06746 1/20 0.47
THRB P10828 2/20 0.42
CISD1 Q9NZ45 1/20 0.42
EGFR P00533 3/20 0.41
CYP3A4 P08684 3/20 0.39
HPGD P15428 3/20 0.39
TSHR P16473 3/20 0.39
NFKB1 P19838 3/20 0.39
BLM P54132 3/20 0.39
PMP22 Q01453 3/20 0.39
CYP1A2 P05177 2/20 0.39
APEX1 P27695 1/20 0.39

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
SCHEMBL8724442 0.83 MEN1 (0.82) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8722317 0.77 ALDH1A1 (0.35) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8722321 0.77 ALDH1A1 (0.35) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL8722325 0.77 ALDH1A1 (0.35) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL32675887 0.72 MEN1 (1.00) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL255364 0.71 MEN1 (0.97) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL255365 0.71 MEN1 (0.97) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL1009547 0.70 KMT2A (1.00) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6003816 0.69 KMT2A (0.81) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL17466932 0.69 MAPT (1.00) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed