SCHEMBL4259970

SCHEMBL4259970

COc1cc(C2NC(=O)c3cc([N+](=O)[O-])ccc3N2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PTGS2 P35354 1/20 0.45
CDK2 P24941 2/20 0.45
CCNE1 P24864 1/20 0.45
CHEK1 O14757 1/20 0.43
PDPK1 O15530 1/20 0.43
ROCK2 O75116 1/20 0.43
RPS6KA5 O75582 1/20 0.43
MAP4K4 O95819 1/20 0.43
CHEK2 O96017 1/20 0.43
CDK1 P06493 1/20 0.43
PIM1 P11309 1/20 0.43
RPS6KB1 P23443 1/20 0.43
AKT2 P31751 1/20 0.43
MAPKAPK2 P49137 1/20 0.43
CDK8 P49336 1/20 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
SCHEMBL11286970 0.78 TNKS2 (0.58) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL6124127 0.74 KMT2A (0.52) KDM4EALDH1A1HPGDMAPTPTGS2
SCHEMBL19386770 0.73 CASP3 (0.57) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1
SCHEMBL3754813 0.72 CCNE1 (0.68) KDM4EMAPTCDK2CCNE1GSK3B
SCHEMBL6124233 0.72 TNKS2 (0.49) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL7859229 0.71 GAA (0.65) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL12591983 0.69 MEN1 (0.52) KDM4EALDH1A1HPGDMAPTSMN1; SMN2
SCHEMBL29258995 0.68 KMT2A (0.57) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL30310963 0.68 KMT2A (0.57) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL6313062 0.68 PTGS2 (0.62) ALDH1A1MAPTSMN1; SMN2PTGS2TUBB4A

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-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-7488721-B2 Real time methylumbelliferone-based assay MCMASTER UNIVERSITY (CA) 2009-02-10 US disclosed
US-20060008862-A1 Real time methylumbelliferone-based assay THE HOSPITAL FOR SICK CHILDREN 2006-01-12 US disclosed