SCHEMBL6542113

SCHEMBL6542113

CCCCC[N]c1cccc2cc3ccccc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
KCNA3 P22001 2/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
RAB9A P51151 2/20 0.34
CYSLTR2 Q9NS75 1/20 0.34
CYSLTR1 Q9Y271 1/20 0.34
ERBB2 P04626 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAOA P21397 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
SCHEMBL6540776 0.98 MAPT (0.42) MAPTSIGMAR1GPBAR1NPC1MEN1
SCHEMBL6540964 0.98 MAPT (0.42) MAPTSIGMAR1GPBAR1NPC1MEN1
SCHEMBL6540915 0.98 MAPT (0.42) MAPTSIGMAR1GPBAR1NPC1MEN1
SCHEMBL6541233 0.95 SIGMAR1 (0.40) MAPTSIGMAR1GPBAR1NPC1MEN1
SCHEMBL4857958 0.93 SIGMAR1 (0.40) MAPTSIGMAR1GPBAR1NPC1MEN1
SCHEMBL6541690 0.88 SIGMAR1 (0.42) MAPTSIGMAR1NPC1MEN1KMT2A
SCHEMBL6541657 0.86 ALDH1A1 (0.42) MAPTSIGMAR1NPC1MEN1KMT2A
SCHEMBL6542194 0.85 MAPT (0.41) MAPTSIGMAR1NPC1MEN1KMT2A
SCHEMBL6541705 0.85 MAPT (0.41) MAPTSIGMAR1NPC1MEN1KMT2A
SCHEMBL6540677 0.85 MAPT (0.41) 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