SCHEMBL8147117

SCHEMBL8147117

CCCCn1c(NC(=O)c2ccc(Br)o2)c(N)c2nc3ccccc3nc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.75
ALDH1A1 P00352 11/20 0.75
HPGD P15428 11/20 0.75
MAPT P10636 10/20 0.75
BLM P54132 8/20 0.75
HTT P42858 7/20 0.75
GAA P10253 5/20 0.75
POLB P06746 3/20 0.75
PLEC Q15149 2/20 0.75
SAE1 Q9UBE0 8/20 0.72
UBA2 Q9UBT2 8/20 0.72
NSD2 O96028 6/20 0.72
THRB P10828 4/20 0.72
NPSR1 Q6W5P4 4/20 0.72
UBE2I P63279 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
RXFP1 Q9HBX9 1/20 0.72
CASP1 P29466 7/20 0.54
HSD17B10 Q99714 7/20 0.54
LMNA P02545 6/20 0.54

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
SCHEMBL8164257 0.91 KDM4E (0.63) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL15032605 0.86 SAE1 (0.76) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL15032610 0.84 SAE1 (0.72) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL8163981 0.83 KDM4E (0.73) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL8168066 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL8163982 0.80 SAE1 (0.62) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL8161071 0.80 SAE1 (0.75) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL8163952 0.79 HPGD (0.58) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL4787894 0.78 KDM4E (0.68) KDM4EALDH1A1HPGDMAPTBLM
SCHEMBL8163085 0.78 KDM4E (0.66) KDM4EALDH1A1HPGDMAPTBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008115259-A2 DERIVATIVES OF BENZOXADIAZOLE SUITABLE FOR THE TREATMENT OF CELL PROLIFERATIVE DISEASES RIGEL PHARMACEUTICALS, INC. (US) 2008-09-25 WO disclosed