SCHEMBL14719973

SCHEMBL14719973

CN(CCCC[C@H](NC(=O)c1ccc(N=[N+]=[N-])cc1)C(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 8/20 0.66
ALB P02768 9/20 0.54
CA2 P00918 3/20 0.48
CA1 P00915 2/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48

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
SCHEMBL14719971 0.80 FOLH1 (1.00) FOLH1ALB
SCHEMBL18145538 0.80 FOLH1 (1.00) FOLH1ALB
SCHEMBL22712970 0.80 FOLH1 (1.00) FOLH1ALB
SCHEMBL18145524 0.78 FOLH1 (0.73) FOLH1ALB
SCHEMBL22712886 0.78 FOLH1 (0.73) FOLH1ALB
SCHEMBL14729376 0.78 FOLH1 (0.73) FOLH1ALB
SCHEMBL14720001 0.77 FOLH1 (0.44) FOLH1
SCHEMBL14720011 0.76 FOLH1 (0.43) FOLH1CA2CA1CA12CA9
SCHEMBL22736956 0.75 ALB (0.66) FOLH1ALB
SCHEMBL22712926 0.75 ALB (0.66) FOLH1ALB

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-2013028664-A1 PSMA IMAGING AGENTS SIEMENS MEDICAL SOLUTIONS USA, INC. (US) 2013-02-28 WO disclosed