SCHEMBL13472000

SCHEMBL13472000

CCCCCCCCn1c2ccc(Br)cc2c(=O)c2cc(Br)ccc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.54
CNR1 P21554 3/20 0.47
SIGMAR1 Q99720 1/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
HRH1 P35367 1/20 0.46
GSK3B P49841 4/20 0.46
PSEN1 P49768 1/20 0.45
PSEN2 P49810 1/20 0.45
APH1B Q8WW43 1/20 0.45
NCSTN Q92542 1/20 0.45
APH1A Q96BI3 1/20 0.45
PSENEN Q9NZ42 1/20 0.45
RORA P35398 1/20 0.44
RORC P51449 1/20 0.44
RORB Q92753 1/20 0.44
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL12810417 0.97 CNR2 (0.52) CNR2CNR1SIGMAR1SLC6A4SLC6A2
SCHEMBL13933210 0.97 CNR2 (0.52) CNR2CNR1SIGMAR1SLC6A4SLC6A2
SCHEMBL28299672 0.91 SIGMAR1 (0.54) CNR2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL751367 0.91 SIGMAR1 (0.54) CNR2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL3339737 0.91 SIGMAR1 (0.54) CNR2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL29779351 0.91 SIGMAR1 (0.54) CNR2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL11127173 0.91 SIGMAR1 (0.54) CNR2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL3823482 0.91 SIGMAR1 (0.54) CNR2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL29393803 0.91 SIGMAR1 (0.54) CNR2SIGMAR1PSEN1PSEN2APH1B
SCHEMBL11909992 0.89 SIGMAR1 (0.55) CNR2CNR1SIGMAR1PSEN1PSEN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130002989-A1 POLYMER COMPOUND AND POLYMER LIGHT EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-01-03 US disclosed
US-8293380-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 US disclosed
US-20080088228-A1 Polymer Compound and Polymer Light Emitting Device Using the Same DSUMITOMO CHEMICAL COMPANY LIMITED (JP) 2008-04-17 US disclosed