SCHEMBL9000413

SCHEMBL9000413

Oc1cccc(C=Cc2nc(C=Cc3cccc(O)c3)c(C=Cc3cccc(O)c3)nc2C=Cc2cccc(O)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.67
CYSLTR2 Q9NS75 1/20 0.56
CYSLTR1 Q9Y271 1/20 0.56
CCNB2 O95067 1/20 0.55
CDK1 P06493 1/20 0.55
CDK4 P11802 1/20 0.55
CCNB1 P14635 1/20 0.55
CCND1 P24385 1/20 0.55
CCNB3 Q8WWL7 1/20 0.55
ABL1 P00519 1/20 0.55
BCR P11274 1/20 0.55
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
KMT2A Q03164 1/20 0.54
FBP1 P09467 1/20 0.50
PTGS2 P35354 2/20 0.48
PTGS1 P23219 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 2/20 0.46
NR1I2 O75469 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
SCHEMBL9000408 1.00 LCK (0.67) LCKCYSLTR2CYSLTR1CCNB2CDK1
SCHEMBL2512334 0.87 LCK (0.86) LCKCYSLTR2CYSLTR1CCNB2CDK1
SCHEMBL13338339 0.87 LCK (0.86) LCKCYSLTR2CYSLTR1CCNB2CDK1
SCHEMBL2512336 0.87 LCK (0.86) LCKCYSLTR2CYSLTR1CCNB2CDK1
SCHEMBL23754267 0.80 LCK (1.00) LCKCCNB2CDK1CDK4CCNB1
SCHEMBL30194225 0.80 LCK (1.00) LCKCCNB2CDK1CDK4CCNB1
(E)-3-Stilbenol SCHEMBL113159 0.80 LCK (0.75) LCKCYSLTR2CYSLTR1CCNB2CDK1
(E)-3-Stilbenol SCHEMBL30364828 0.80 LCK (0.75) LCKCYSLTR2CYSLTR1CCNB2CDK1
SCHEMBL23754269 0.80 LCK (1.00) LCKCCNB2CDK1CDK4CCNB1
(E)-3-Stilbenol SCHEMBL5489745 0.80 LCK (0.75) LCKCYSLTR2CYSLTR1CCNB2CDK1

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
EP-0516409-B1 Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS (JP) 1996-09-11 EP disclosed
US-5416213-A Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1995-05-16 US disclosed
EP-0516409-A2 Tetravinylpyrazine compound, method for preparing same and electroluminescent element and non-linear optical material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-12-02 EP disclosed