SCHEMBL5501565

SCHEMBL5501565

CN(C)c1cccc2c1C(c1ccccc1Cl)c1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.40
NISCH Q9Y2I1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
CYP2C9 P11712 1/20 0.35
ATM Q13315 1/20 0.34
USP2 O75604 1/20 0.33
HTR2A P28223 9/20 0.33
HTR2C P28335 9/20 0.33
HRH1 P35367 5/20 0.33
ADRA2A P08913 3/20 0.33
DRD2 P14416 3/20 0.33
ADRA2C P18825 3/20 0.33
DRD1 P21728 3/20 0.33
DRD3 P35462 3/20 0.33
HTR7 P34969 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL5501554 0.85 MEN1 (0.40) AHRNISCHMEN1KMT2AMAOA
SCHEMBL3905870 0.77 GRM2 (0.41) NISCHMEN1KMT2AMAOAMAOB
SCHEMBL3898900 0.76 CYP2C9 (0.47) MEN1KMT2ACYP2C9ATMUSP2
SCHEMBL5282494 0.74 MEN1 (0.36) AHRNISCHMEN1KMT2AMAOA
SCHEMBL3896874 0.74 LMNA (0.46) AHRMEN1KMT2ACYP2C9USP2
SCHEMBL5501786 0.74 MEN1 (0.41) MEN1KMT2AMAOAMAOBUSP2
SCHEMBL28023534 0.72 MEN1 (0.37) MEN1KMT2AMAOAMAOBATM
SCHEMBL9407337 0.71 AHR (0.46) AHRNISCHMEN1KMT2AMAOA
SCHEMBL1524420 0.70 CYP2C9 (0.51) AHRNISCHMEN1KMT2AMAOA
SCHEMBL5501387 0.69 MEN1 (0.40) NISCHMEN1KMT2AMAOAMAOB

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-1765592-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR Agfa Graphics N.V. (BE) 2007-03-28 EP disclosed
WO-2006005688-A1 METHOD FOR MAKING NEGATIVE-WORKING HEAT-SENSITIVE LITHOGRAPHIC PRINTING PLATE PRECURSOR. AGFA-GEVAERT (BE) 2006-01-19 WO disclosed