SCHEMBL9359603

SCHEMBL9359603

O=C=Nc1ccc(Oc2ccc(N=C=O)c(Cl)c2)c(N=C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
CYP3A4 P08684 3/20 0.44
TRPA1 O75762 1/20 0.44
FURIN P09958 1/20 0.38
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTR2A P28223 6/20 0.33
SLC6A4 P31645 6/20 0.33
KCNH2 Q12809 4/20 0.33
TSHR P16473 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
AR P10275 1/20 0.31
EPAS1 Q99814 1/20 0.30
SOS1 Q07889 1/20 0.30

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
SCHEMBL241344 0.85 CYP3A4 (0.51) TDP1MAPK1CYP3A4TRPA1FURIN
SCHEMBL1712512 0.83 TDP1 (0.41) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL9359157 0.81 CYP3A4 (0.49) TDP1MAPK1CYP3A4TRPA1FURIN
SCHEMBL9359064 0.80 CYP3A4 (0.69) TDP1MAPK1CYP3A4TRPA1FURIN
SCHEMBL29709073 0.79 TDP1 (0.70) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL462305 0.79 TDP1 (0.70) TDP1MAPK1CYP3A4TRPA1ALDH1A1
SCHEMBL166668 0.79 CYP3A4 (0.49) TDP1MAPK1CYP3A4TRPA1FURIN
SCHEMBL11024763 0.75 MAPK1 (0.54) TDP1MAPK1ALDH1A1HPGD
SCHEMBL9359283 0.74 CYP3A4 (0.50) TDP1MAPK1CYP3A4TRPA1FURIN
SCHEMBL11785388 0.74 AR (0.51) TDP1MAPK1CYP3A4KCNH2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465302-B1 Precursors of isocyanurate polymers having hydroxyl, urethane, isocyanate or acrylate groups, and process for their preparation ATOCHEM ELF SA (FR) 1994-12-28 EP disclosed
US-5256748-A Michael condensation of isocyanuric acid and hydroxyacrylated compound AUTOCHEM (FR) 1993-10-26 US disclosed
EP-0465302-A1 Precursors of isocyanurate polymers having hydroxyl, urethane, isocyanate or acrylate groups, and process for their preparation ELF ATOCHEM S.A. (FR) 1992-01-08 EP disclosed
US-4446300-A DIELECTRICS, FORMING TRIS/2-HYDROXYETHYL/ISOCYANURATE IN SITU FROM CYANURIC ACID AND ETHYLENE CARBONATE THE P. D. GEORGE COMPANY (US) 1984-05-01 US disclosed
US-4243788-A UNSATURATED ISOCYANURATE, UNSATURATED SOLVENT ICI AMERICAS INC. (US) 1981-01-06 US disclosed
US-4159376-A IMPACT STRENGTH, CORROSION RESISTANCE, CARBAMYLATION ICI AMERICAS INC. (US) 1979-06-26 US disclosed
US-4145544-A TRIMERIZING AROMATIC ISOCYANATE AND AN UNSATURATED SOLVENT, REACTING WITH ALCOHOL ICI AMERICAS INC. (US) 1979-03-20 US disclosed
US-4113706-A Aromatic imino acids and resins derived therefrom THE P. D. GEORGE COMPANY (US) 1978-09-12 US disclosed
US-4069209-A DIELECTRIC COATINGS FOR WIRES THE P. D. GEORGE COMPANY (US) 1978-01-17 US disclosed