SCHEMBL11319280

SCHEMBL11319280

C(/C=C/c1ccc2ccccc2c1)=C\c1ccc2ccccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RELA Q04206 1/20 0.71
PTGS1 P23219 1/20 0.61
NQO2 P16083 2/20 0.57
ALDH1A1 P00352 2/20 0.57
GLA P06280 1/20 0.57
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
CNR2 P34972 2/20 0.54
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 1/20 0.48
CYP3A4 P08684 1/20 0.47
PTPN1 P18031 1/20 0.47
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL11319283 1.00 RELA (0.71) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL11322281 0.93 RELA (0.83) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL11322285 0.93 RELA (0.83) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL29842519 0.90 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL5050695 0.90 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL5552166 0.90 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL5050698 0.90 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL5552162 0.90 RELA (0.86) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL10740992 0.89 RELA (0.59) RELAPTGS1NQO2ALDH1A1GLA
SCHEMBL10740995 0.89 RELA (0.59) RELAPTGS1NQO2ALDH1A1GLA

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-4250053-A WITH FLUORESCENT COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1981-02-10 US disclosed