SCHEMBL28265151

SCHEMBL28265151

N#COc1ccc(C2(c3ccc(OC#N)c(CN)c3)c3ccccc3-c3ccccc32)cc1CN

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL4263704 0.83 ESR1 (0.36) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL29489127 0.79 ESR1 (0.55) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL4262501 0.79 ESR1 (0.55) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL4270506 0.78 ESR1 (0.40) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL29562374 0.78 ESR1 (0.40) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL28807114 0.76 PDK2 (0.41) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL28311774 0.76 SLC6A4 (0.31)
SCHEMBL28296492 0.75 MEN1 (0.53) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL28026138 0.74 ESR1 (0.59) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL4268004 0.71 MEN1 (0.52) KDM4EMEN1LMNAMAPTOPRK1

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
CN-109071745-A Cyanate ester compound, method for producing same, resin composition, cured product, prepreg, sealing material, fiber-reinforced composite material, adhesive, metal foil-clad laminate, resin sheet, and printed wiring board 三菱瓦斯化学株式会社 2018-12-21 CN disclosed