SCHEMBL7168591

SCHEMBL7168591

O=[N+]([O-])c1cccc(Cl)c1Oc1ccc(-c2ccc(Oc3c(Cl)cccc3[N+](=O)[O-])cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.67
POLB P06746 1/20 0.67
APEX1 P27695 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.57
BCL2L1 Q07817 1/20 0.55
MCL1 Q07820 1/20 0.55
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.51
HPGD P15428 1/20 0.49
PIN1 Q13526 1/20 0.47
TLR8 Q9NR97 1/20 0.43
PTPN7 P35236 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
TDP1 Q9NUW8 4/20 0.41
HSPB1 P04792 1/20 0.40
MERTK Q12866 1/20 0.40
MEN1 O00255 1/20 0.39
TTR P02766 1/20 0.39
ALB P02768 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
SCHEMBL9818964 0.90 MAPT (0.67) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL2326248 0.89 MAPT (0.64) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL13749241 0.88 MAPT (0.67) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL13720687 0.85 MAPT (0.64) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL1020458 0.85 MAPT (0.61) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL4008254 0.84 MAPT (0.60) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL14071618 0.84 MAPT (0.63) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL7213711 0.84 MAPT (0.63) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL12568260 0.84 APEX1 (0.75) MAPTPOLBAPEX1SMN1; SMN2BCL2L1
SCHEMBL1471963 0.84 MAPT (0.60) MAPTPOLBAPEX1SMN1; SMN2BCL2L1

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
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO claimed
WO-2003007955-A2 BIPHENYL APURINIC/APYRIMIDINIC SITE ENDONUCLEASE INHIBITORS TO TREAT CANCER CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-01-30 WO disclosed