SCHEMBL6541983

SCHEMBL6541983

CCC[N]c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
HTR7 P34969 4/20 0.34
HTR1A P08908 3/20 0.34
DRD2 P14416 2/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
DHFR P00374 1/20 0.33
HEXA P06865 1/20 0.33
HEXB P07686 1/20 0.33
HNF4A P41235 1/20 0.33
DPP4 P27487 1/20 0.32
CRHR1 P34998 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH1A1 P00352 3/20 0.31

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
SCHEMBL6541302 0.90 SOAT1 (0.35) PDCD1CD274HTR7HTR1ADHFR
SCHEMBL6541589 0.89 SOAT1 (0.38) PDCD1CD274DHFR
SCHEMBL6541719 0.87 SOAT1 (0.40) DHFRALDH1A1
SCHEMBL6541882 0.87 SOAT1 (0.40) DHFRALDH1A1
SCHEMBL6542038 0.87 SOAT1 (0.40) DHFRALDH1A1
SCHEMBL6541665 0.86 PDCD1 (0.38) PDCD1CD274HTR7HTR1ADRD2
SCHEMBL6542125 0.85 CASP3 (0.41) PDCD1CD274HTR7HTR1ADRD2
SCHEMBL6540764 0.76 CASP3 (0.38) PDCD1CD274HTR7HTR1ADRD2
SCHEMBL5012498 0.75 CASP3 (0.41) PDCD1CD274CASP3SENP8SENP7
SCHEMBL6542098 0.75 CASP3 (0.39) PDCD1CD274HTR7CASP3SENP8

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-1452574-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENCE ELEMENT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING THE SAME TOYO INK MFG. CO., LTD. (JP) 2004-09-01 EP disclosed
US-20040151944-A1 Anode, cathode, light emitting layers TOYO INK MFG. CO., LTD. (JP) 2004-08-05 US disclosed