SCHEMBL6848460

SCHEMBL6848460

O=c1-n-c(=O)-c2ccc(cc2)-n-c(=O)-c2cc(-c3ccc4c(c3)C(=O)NC4=O)ccc2-c(=O)-n-c2ccc-1cc2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPOX P50336 1/20 0.48
CYP3A4 P08684 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
GSK3B P49841 1/20 0.43
CASP3 P42574 1/20 0.42
CASP2 P42575 1/20 0.42
CASP7 P55210 1/20 0.42
CASP6 P55212 1/20 0.42
CASP8 Q14790 1/20 0.42
MAOA P21397 8/20 0.41
MAOB P27338 8/20 0.41
GRM5 P41594 3/20 0.41
TDP2 O95551 4/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39

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
SCHEMBL6855620 0.88 MAOA (0.41) PPOXGSK3BCASP3CASP2CASP7
SCHEMBL8319902 0.87 PPOX (0.60) PPOXCYP3A4TDP1GSK3BCASP3
SCHEMBL8962219 0.87 PPOX (0.60) PPOXCYP3A4TDP1GSK3BCASP3
SCHEMBL27889012 0.80 GSK3B (0.35) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL3957509 0.79 PPOX (0.56) PPOXCYP3A4TDP1GSK3BCASP3
SCHEMBL1276074 0.78 TDP2 (0.61) PPOXCYP3A4TDP1GSK3BCASP3
SCHEMBL16521551 0.76 PPOX (0.48) PPOXCYP3A4TDP1GSK3BCASP3
SCHEMBL19047110 0.73 ALDH1A1 (0.49) PPOXCYP3A4TDP1GSK3BCASP3
SCHEMBL23601550 0.72 FYN (0.58) PPOXGSK3BMAOAMAOBTDP2
SCHEMBL145900 0.70 PPOX (0.56) PPOXCYP3A4TDP1GSK3BCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6828408-B2 Small coefficient of linear expansion and small water absorbing property, and excellent heat resistance; thermotropic liquid crystalline polymer for engineering plastics SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-12-07 US disclosed
US-20030083459-A1 Aromatic polyimide ester and method for producing thereof SUMITOMO CHEMICAL COMPANY, LIMITED 2003-05-01 US disclosed