SCHEMBL6540739

SCHEMBL6540739

CC[N]c1ccccc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
SIGMAR1 Q99720 2/20 0.40
HTR7 P34969 2/20 0.39
DPP4 P27487 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
CYP2A6 P11509 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ADRB2 P07550 1/20 0.36
PTGS2 P35354 1/20 0.35
BACE1 P56817 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6541665 0.84 PDCD1 (0.38) CASP3SENP8SENP7SENP6SIGMAR1
SCHEMBL6542125 0.83 CASP3 (0.41) CASP3SENP8SENP7SENP6SIGMAR1
SCHEMBL6542098 0.80 CASP3 (0.39) CASP3SENP8SENP7SENP6SIGMAR1
SCHEMBL6540669 0.79 SOAT1 (0.41) CASP3SENP8SENP7SENP6
SCHEMBL6540940 0.77 SOAT1 (0.43) CASP3SENP8SENP7SENP6
SCHEMBL6541738 0.77 SOAT1 (0.43) CASP3SENP8SENP7SENP6
SCHEMBL6541303 0.77 SOAT1 (0.43) CASP3SENP8SENP7SENP6
SCHEMBL6541022 0.75 CASP3 (0.48) CASP3SENP8SENP7SENP6SIGMAR1
SCHEMBL3999159 0.74 CASP3 (0.71) CASP3SENP8SENP7SENP6SIGMAR1
SCHEMBL1232121 0.74 CASP3 (0.52) CASP3SENP8SENP7SENP6SIGMAR1

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