SCHEMBL10045668

SCHEMBL10045668

CCOC(CCc1cccnc1)OC

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CHRNB2 P17787 3/20 0.45
CHRNA4 P43681 3/20 0.45
CHRNA7 P36544 2/20 0.45
CYP2A6 P11509 1/20 0.42
HRH1 P35367 2/20 0.41
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
POLB P06746 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL3920677 0.92 TDP1 (0.53) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL26645944 0.80 CHRNB2 (0.49) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL31686137 0.80 CHRNB2 (0.49) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL28705794 0.80 TDP1 (0.57) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL29438513 0.80 TDP1 (0.57) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL12282537 0.78 CHRNA7 (0.50) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL9668987 0.77 TDP1 (0.51) TDP1L3MBTL1CHRNA7CYP2A6HRH1
SCHEMBL7474917 0.74 CHRNA7 (0.58) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL22229849 0.74 CHRNA7 (0.58) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7
SCHEMBL104468 0.73 CHRNA7 (0.57) TDP1L3MBTL1CHRNB2CHRNA4CHRNA7

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-8114813-B2 Heat transferrable dye in resin containing polyvinyl acetal modified with ketone FUJIFILM CORPORATION (JP) 2012-02-14 US disclosed