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Sugi Predict / Compounds / SCHEMBL14719980

SCHEMBL14719980

SCHEMBL14719980

CCN(CC)C(=O)c1cc(N=[N+]=[N-])cc(C(=O)N[C@@H](CCCCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 11/20 0.52
▸ ALB P02768 9/20 0.50

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
SCHEMBL18145453 0.94 FOLH1 (0.57) FOLH1ALB
SCHEMBL14719978 0.94 FOLH1 (0.57) FOLH1ALB
SCHEMBL14719961 0.88 FOLH1 (0.53) FOLH1ALB
SCHEMBL14728970 0.84 FOLH1 (0.62) FOLH1ALB
SCHEMBL20492756 0.84 FOLH1 (0.62) FOLH1ALB
SCHEMBL14721592 0.84 FOLH1 (0.59) FOLH1
SCHEMBL18145830 0.84 FOLH1 (0.62) FOLH1ALB
SCHEMBL14719960 0.82 FOLH1 (0.59) FOLH1ALB
SCHEMBL18145518 0.82 FOLH1 (0.59) FOLH1ALB
SCHEMBL14719882 0.77 FOLH1 (0.58) 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