SCHEMBL7128955

SCHEMBL7128955

O=C=Nc1ccccc1Oc1cccc(Oc2ccccc2N=C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.46
FURIN P09958 2/20 0.44
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 4/20 0.38
TRPA1 O75762 1/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
MTNR1B P49286 1/20 0.34
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL673041 0.89 KMT2A (0.44) CYP3A4ALDH1A1HPGDTDP1GAA
SCHEMBL2180933 0.89 SLC6A4 (0.50) CYP3A4ALDH1A1HPGDTDP1SLC6A2
SCHEMBL8485509 0.85 GAA (0.51) CYP3A4ALDH1A1HPGDTDP1GAA
SCHEMBL29369823 0.85 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL1356140 0.85 CYP3A4 (0.50) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL1415413 0.82 ALDH1A1 (0.46) CYP3A4ALDH1A1HPGDTDP1GAA
SCHEMBL1071989 0.81 CYP3A4 (0.40) CYP3A4FURINALDH1A1HPGDTDP1
SCHEMBL29812870 0.81 CYP3A4 (0.40) CYP3A4FURINALDH1A1HPGDTDP1
SCHEMBL28377763 0.79 CYP3A4 (0.45) CYP3A4ALDH1A1HPGDTDP1TRPA1
SCHEMBL10801387 0.79 CYP3A4 (0.39) CYP3A4ALDH1A1HPGDTDP1GAA

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
EP-1281727-A1 SOLUBLE POLYIMIDE AND COMPOSITION COMPRISING THE SAME, BONDING SHEET, ADHESIVE LAMINATED FILM FOR COVERING ACCELERATOR BEAM TUBE, AND ADHESIVE LAMINATED FILM FOR COVERING CONDUCTOR WIRE FOR ACCELERATOR QUENCH HEATER Kaneka Corporation (JP) 2003-02-05 EP claimed
EP-1281727-A1 SOLUBLE POLYIMIDE AND COMPOSITION COMPRISING THE SAME, BONDING SHEET, ADHESIVE LAMINATED FILM FOR COVERING ACCELERATOR BEAM TUBE, AND ADHESIVE LAMINATED FILM FOR COVERING CONDUCTOR WIRE FOR ACCELERATOR QUENCH HEATER Kaneka Corporation (JP) 2003-02-05 EP disclosed