SCHEMBL7888602

SCHEMBL7888602

[N]=Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
TSHR P16473 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP2A6 P11509 3/20 0.46
GRIN2D O15399 2/20 0.46
GRIN3B O60391 2/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2A Q12879 2/20 0.46
GRIN2B Q13224 2/20 0.46
GRIN2C Q14957 2/20 0.46
GRIN3A Q8TCU5 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
CHAT P28329 3/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL7896695 0.87 HPRT1 (0.58) RXRATSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL123180 0.80 TSHR (0.48) RXRATSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL7897610 0.79 ALDH1A1 (0.46) RXRATSHRHSD17B10ALDH1A1TDP1
SCHEMBL10706700 0.79 CHAT (0.62) RXRATSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL816177 0.79 TSHR (0.50) RXRATSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL2494362 0.79 TSHR (0.50) RXRATSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL10706687 0.79 CHAT (0.62) RXRATSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL10706694 0.79 CHAT (0.62) RXRATSHRHSD17B10ALDH1A1CYP2A6
SCHEMBL10437274 0.77 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A
SCHEMBL10437275 0.77 CHAT (0.60) RXRACHATHDAC8HDAC6MTNR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6183934-B1 FOE USE IN FORMATION OF PATTERN OF INSULATION FILM, PASSIVATION FILM, .ALPHA.-RAY SHIELDING FILM, OPTICAL WAVEGUIDE KABUSHIKI KAISHA TOSHIBA (JP) 2001-02-06 US disclosed