SCHEMBL5501387

SCHEMBL5501387

CCN(CC)c1cccc2c1C(c1ccccc1C)c1ccccc1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
USP2 O75604 1/20 0.40
NISCH Q9Y2I1 1/20 0.37
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTT P42858 2/20 0.35
TP53 P04637 1/20 0.35
HTR2A P28223 5/20 0.34
HTR2C P28335 5/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
HRH1 P35367 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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) MEN1KMT2AUSP2NISCHTSHR
SCHEMBL5500670 0.85 MEN1 (0.41) MEN1KMT2AUSP2NISCHTSHR
SCHEMBL27851777 0.82 MEN1 (0.39) MEN1KMT2AUSP2NISCHTSHR
SCHEMBL5495275 0.80 KMT2A (0.44) MEN1KMT2AUSP2TSHRSMN1; SMN2
SCHEMBL1985472 0.78 CYP2C9 (0.44) MEN1KMT2AUSP2TSHRSMN1; SMN2
SCHEMBL27851775 0.76 ALDH1A1 (0.40) MEN1KMT2AUSP2TSHRSMN1; SMN2
SCHEMBL14578038 0.75 CYP2C9 (0.52) MEN1KMT2AUSP2NISCHSMN1; SMN2
SCHEMBL30552229 0.75 CYP2C9 (0.52) MEN1KMT2AUSP2NISCHSMN1; SMN2
SCHEMBL4070707 0.75 NPC1 (0.45) MEN1KMT2AUSP2TSHRSMN1; SMN2
SCHEMBL5501909 0.73 GRM8 (0.43) MEN1KMT2AUSP2TSHRSMN1; 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