SCHEMBL6540776

SCHEMBL6540776

CCCCCC[N]c1cccc2cc3ccccc3cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
GPBAR1 Q8TDU6 2/20 0.36
KCNH2 Q12809 1/20 0.36
NPC1 O15118 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ATM Q13315 1/20 0.36
CETP P11597 1/20 0.35
KCNA3 P22001 2/20 0.34
HTT P42858 2/20 0.34
TSHR P16473 1/20 0.34
EPHX1 P07099 1/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
CYSLTR2 Q9NS75 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
SCHEMBL6540915 1.00 MAPT (0.42) MAPTSIGMAR1GPBAR1KCNH2NPC1
SCHEMBL6540964 1.00 MAPT (0.42) MAPTSIGMAR1GPBAR1KCNH2NPC1
SCHEMBL6542113 0.98 MAPT (0.40) MAPTSIGMAR1GPBAR1KCNH2NPC1
SCHEMBL6541233 0.93 SIGMAR1 (0.40) MAPTSIGMAR1GPBAR1NPC1MEN1
SCHEMBL4857958 0.92 SIGMAR1 (0.40) MAPTSIGMAR1GPBAR1NPC1MEN1
SCHEMBL6542194 0.87 MAPT (0.41) MAPTSIGMAR1KCNH2NPC1MEN1
SCHEMBL6540677 0.87 MAPT (0.41) MAPTSIGMAR1KCNH2NPC1MEN1
SCHEMBL6541705 0.87 MAPT (0.41) MAPTSIGMAR1KCNH2NPC1MEN1
SCHEMBL6541690 0.86 SIGMAR1 (0.42) MAPTSIGMAR1NPC1MEN1KMT2A
SCHEMBL6541657 0.85 ALDH1A1 (0.42) MAPTSIGMAR1NPC1MEN1KMT2A

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