SCHEMBL6092720

SCHEMBL6092720

CN(C)C1CCCc2[nH]c(C=C3C(=O)NN=C3c3cccs3)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 10/20 0.46
ALK Q9UM73 2/20 0.36
SRC P12931 2/20 0.33
PDGFRB P09619 2/20 0.33
FGFR1 P11362 1/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 2/20 0.33
RECQL P46063 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSP90AA1 P07900 1/20 0.33
NTSR1 P30989 1/20 0.33
HTT P42858 1/20 0.33
PBRM1 Q86U86 1/20 0.32
RET P07949 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31

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
SCHEMBL6092715 1.00 KDR (0.46) KDRALKSRCPDGFRBFGFR1
SCHEMBL6092492 0.83 KDR (0.42) KDRALKSRCPDGFRBFGFR1
SCHEMBL6092488 0.83 KDR (0.42) KDRALKSRCPDGFRBFGFR1
SCHEMBL6092869 0.81 KDR (0.39) KDRALKSRCPDGFRBFGFR1
SCHEMBL6088996 0.81 KDR (0.39) KDRALKSRCPDGFRBFGFR1
SCHEMBL6092868 0.81 KDR (0.39) KDRALKSRCPDGFRBFGFR1
SCHEMBL6088991 0.81 KDR (0.39) KDRALKSRCPDGFRBFGFR1
SCHEMBL6089010 0.81 KDR (0.41) KDRALKSRCPDGFRBFGFR1
SCHEMBL6089006 0.81 KDR (0.41) KDRALKSRCPDGFRBFGFR1
SCHEMBL6090104 0.80 KDR (0.42) KDRALKSRCPDGFRBFGFR1

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
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed