SCHEMBL8904108

SCHEMBL8904108

COc1cc(Sc2ccc(Oc3ccc(N)cc3)cc2)cc(OC)c1Oc1ccc(N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 7/20 0.44
TDP1 Q9NUW8 4/20 0.44
CYP3A4 P08684 3/20 0.44
MAPK1 P28482 3/20 0.44
TSHR P16473 2/20 0.44
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 0.43
TUBB2A Q13885 2/20 0.43
TUBB8 Q3ZCM7 2/20 0.43
TUBA3E Q6PEY2 2/20 0.43
TUBA1A Q71U36 2/20 0.43
TUBA1C Q9BQE3 2/20 0.43
TUBB6 Q9BUF5 2/20 0.43
TUBB2B Q9BVA1 2/20 0.43

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
SCHEMBL8905674 0.95 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1TDP1CYP3A4MAPK1
SCHEMBL5604090 0.87 MAOB (0.49) SMN1; SMN2ALDH1A1CYP3A4TUBB4ATUBB
SCHEMBL8904017 0.81 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1TDP1CYP3A4MAPK1
SCHEMBL126339 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1TDP1CYP3A4MAPK1
SCHEMBL9487306 0.79 ALDH1A1 (0.70) SMN1; SMN2ALDH1A1TDP1CYP3A4MAPK1
SCHEMBL8192710 0.78 MAOB (0.40) SMN1; SMN2ALDH1A1CYP3A4TUBB4ATUBB
SCHEMBL5603440 0.78 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1CYP3A4TSHRTUBB4A
SCHEMBL8157862 0.76 CYP19A1 (0.56) SMN1; SMN2ALDH1A1TDP1CYP3A4MAPK1
SCHEMBL5786907 0.75 TDP1 (0.73) SMN1; SMN2ALDH1A1TDP1CYP3A4MAPK1
SCHEMBL31457238 0.75 MAPK1 (0.52) ALDH1A1TDP1CYP3A4MAPK1TSHR

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
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