SCHEMBL6092546

SCHEMBL6092546

CN(C)C1CCCc2[nH]c(C=C3C(=O)NN=C3c3ccno3)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.39
SRC P12931 2/20 0.31
PDGFRB P09619 1/20 0.31
FGFR1 P11362 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA4 P43681 1/20 0.31
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
NPC1 O15118 1/20 0.30
GMNN O75496 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 1/20 0.30
FYN P06241 1/20 0.30
YES1 P07947 1/20 0.30
LYN P07948 1/20 0.30
RET P07949 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6092540 1.00 KDR (0.39) KDRSRCPDGFRBFGFR1CHRNB2
SCHEMBL6092868 0.85 KDR (0.39) KDRSRCPDGFRBFGFR1MEN1
SCHEMBL6092869 0.85 KDR (0.39) KDRSRCPDGFRBFGFR1MEN1
SCHEMBL6092492 0.83 KDR (0.42) KDRSRCPDGFRBFGFR1CHRNB2
SCHEMBL6092488 0.83 KDR (0.42) KDRSRCPDGFRBFGFR1CHRNB2
SCHEMBL6090046 0.82 KDR (0.40) KDRSRCPDGFRBFGFR1
SCHEMBL6090104 0.82 KDR (0.42) KDRSRCPDGFRBFGFR1CHRNB2
SCHEMBL6090054 0.82 KDR (0.40) KDRSRCPDGFRBFGFR1
SCHEMBL6090098 0.82 KDR (0.42) KDRSRCPDGFRBFGFR1CHRNB2
SCHEMBL6088991 0.81 KDR (0.39) KDRSRCPDGFRBFGFR1CHRNB2

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