SCHEMBL8509845

SCHEMBL8509845

N#CC(C#N)=C(C#N)c1ccc(N2CC(O)C(O)C2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
EGFR P00533 4/20 0.42
ALDH1A1 P00352 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
USP30 Q70CQ3 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
CDK1 P06493 1/20 0.30
CDK2 P24941 1/20 0.30
AR P10275 1/20 0.30
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
TMPRSS6 Q8IU80 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30

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
SCHEMBL8992111 0.79 MAPT (0.51) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL8722317 0.69 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8722325 0.69 ALDH1A1 (0.35) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL15494488 0.68 EGFR (0.61) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL9471839 0.66 EGFR (0.53) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL6709078 0.66 MAPT (0.48) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL14438912 0.66 EGFR (0.53) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL3792615 0.66 EGFR (0.53) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL8331456 0.66 MEN1 (0.62) MEN1KMT2AEGFRALDH1A1MAPT
SCHEMBL61242 0.65 MEN1 (0.68) MEN1KMT2AEGFRALDH1A1MAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5872882-A Non-linear optical polycarbonates AKZO NOBEL NV (NL) 1999-02-16 US disclosed
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
US-5776375-A CONTAINING NONLINEAR OPTICALLY ACTIVE POLYMER AKZO NOBEL N.V. (NL) 1998-07-07 US disclosed
EP-0815492-A1 NON-LINEAR OPTICAL POLYCARBONATES Akzo Nobel N.V. (NL) 1998-01-07 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
EP-0780722-A1 Electro-optical device stable in the 600-1600 nanometer wavelength range Akzo Nobel N.V. (NL) 1997-06-25 EP disclosed
WO-1996028757-A1 NON-LINEAR OPTICAL POLYCARBONATES AKZO NOBEL N.V. (NL) 1996-09-19 WO disclosed