SCHEMBL8904017

SCHEMBL8904017

COc1cc(Sc2ccc(Oc3ccc(N)cc3)c(OC)c2)ccc1Oc1ccc(N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
CYP19A1 P11511 3/20 0.44
CYP3A4 P08684 3/20 0.42
TSHR P16473 2/20 0.42
AR P10275 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL31457261 0.84 MAPT (0.55) SMN1; SMN2ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL8982092 0.84 CA12 (0.39) SMN1; SMN2ALDH1A1CYP19A1CYP3A4CA12
SCHEMBL5604780 0.83 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL8905674 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1TDP1CYP19A1
SCHEMBL8904108 0.81 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1MAPK1TDP1CYP19A1
SCHEMBL11401708 0.79 MAPK1 (0.56) SMN1; SMN2ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL4233394 0.78 MAOB (0.53) SMN1; SMN2ALDH1A1MAPK1HTTL3MBTL1
SCHEMBL30832957 0.78 CA2 (0.52) ALDH1A1MAPK1CYP3A4TSHRAR
SCHEMBL7859196 0.78 CA2 (0.52) ALDH1A1MAPK1CYP3A4TSHRAR
SCHEMBL31457238 0.77 MAPK1 (0.52) ALDH1A1MAPK1HTTL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650463-A Carbon fiber-reinforced polimide resin composition MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-22 US disclosed
US-5554765-A HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-10 US disclosed
EP-0523240-B1 BISIMIDE COMPOUNDS, POLYIMIDE RESIN COMPOSITION PREPARED THEREFROM, AND CARBON FIBER-REINFORCED POLYIMIDE RESIN COMPOSITION MITSUI TOATSU CHEMICALS (JP) 1996-03-20 EP disclosed
US-5457154-A Melt processability MITSUI TOATSU CHEMICALS, INC. (JP) 1995-10-10 US disclosed
EP-0523240-A1 BISIMIDE COMPOUNDS, POLYIMIDE RESIN COMPOSITION PREPARED THEREFROM, AND CARBON FIBER-REINFORCED POLYIMIDE RESIN COMPOSITION MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-20 EP disclosed