SCHEMBL5495275

SCHEMBL5495275

CCN(CC)c1cccc2c1C(C)c1ccccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
USP2 O75604 1/20 0.44
GRM2 Q14416 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
ALDH1A1 P00352 2/20 0.36
ALOX15 P16050 1/20 0.36
HTR2A P28223 4/20 0.34
HTR2C P28335 4/20 0.34
HRH1 P35367 2/20 0.34
MAPT P10636 2/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
ATM Q13315 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
SCHEMBL3905870 0.83 GRM2 (0.41) KMT2AMEN1USP2GRM2TSHR
SCHEMBL5500670 0.81 MEN1 (0.41) KMT2AMEN1USP2GRM2TSHR
SCHEMBL5501387 0.80 MEN1 (0.40) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL5501554 0.79 MEN1 (0.40) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL27851777 0.78 MEN1 (0.39) KMT2AMEN1USP2GRM2TSHR
SCHEMBL5501909 0.77 GRM8 (0.43) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL367139 0.74 GRM2 (0.44) KMT2AMEN1USP2GRM2SMN1; SMN2
SCHEMBL5501013 0.73 HTR5A (0.36) KMT2AMEN1NPSR1L3MBTL1ALDH1A1
SCHEMBL5501786 0.73 MEN1 (0.41) KMT2AMEN1USP2TSHRSMN1; SMN2
SCHEMBL1985472 0.73 CYP2C9 (0.44) KMT2AMEN1USP2TSHRSMN1; 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-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