SCHEMBL5598674

SCHEMBL5598674

COc1cc(O)ccc1CC(=O)Nc1cnn(C)c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 8/20 0.60
CSF1R P07333 7/20 0.60
KDR P35968 6/20 0.60
FLT3 P36888 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
FLT4 P35916 1/20 0.50
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TAS2R8 Q9NYW2 1/20 0.46
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL2177709 0.86 PDGFRB (0.62) PDGFRBCSF1RKDRFLT3FLT4
SCHEMBL2172465 0.78 PDGFRB (0.62) PDGFRBCSF1RKDRFLT3ALDH1A1
SCHEMBL2172865 0.76 CSF1R (1.00) PDGFRBCSF1RKDRFLT3
SCHEMBL2174909 0.74 PDGFRB (0.82) PDGFRBCSF1RKDRFLT3FLT4
SCHEMBL4371203 0.74 KDM4E (0.51) ALDH1A1KDM4EHSD17B10MEN1TSHR
SCHEMBL1098763 0.72 SMN1; SMN2 (0.53) ALDH1A1HTTSMN1; SMN2KDM4EHSD17B10
SCHEMBL2174885 0.72 ALDH1A1 (0.53) PDGFRBCSF1RKDRFLT3ALDH1A1
SCHEMBL1098455 0.71 SMN1; SMN2 (0.52) ALDH1A1HTTSMN1; SMN2KDM4EHSD17B10
SCHEMBL22775067 0.71 ALDH1A1 (0.67) ALDH1A1HTTSMN1; SMN2L3MBTL1KDM4E
SCHEMBL2173834 0.71 EGFR (0.51) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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-2007113548-A1 NAPHTHYRIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-10-11 WO disclosed