SCHEMBL18516783

SCHEMBL18516783

O=C(O)CC[C@H](NC(=O)N[C@@H](CCc1cn(Cc2ccc(F)cc2)nn1)C(=O)O)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 15/20 0.59
▸ HDAC1 Q13547 1/20 0.57
▸ DGAT1 O75907 4/20 0.54

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
SCHEMBL18516784 0.87 FOLH1 (0.67) FOLH1HDAC1
SCHEMBL18516754 0.84 FOLH1 (0.64) FOLH1HDAC1
SCHEMBL18516786 0.82 FOLH1 (0.80) FOLH1DGAT1
SCHEMBL18516785 0.78 FOLH1 (0.66) FOLH1DGAT1
SCHEMBL19120899 0.75 FOLH1 (0.60) FOLH1DGAT1
SCHEMBL4138612 0.75 FOLH1 (0.78) FOLH1
SCHEMBL11936645 0.75 FOLH1 (0.78) FOLH1
SCHEMBL18516780 0.75 FOLH1 (0.69) FOLH1DGAT1
SCHEMBL18161528 0.74 FOLH1 (1.00) FOLH1DGAT1
SCHEMBL14722195 0.74 FOLH1 (1.00) FOLH1DGAT1

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-2017027870-A1 TRIAZOLE CONJUGATED UREAS, THIOUREAS, CARBAMATES, AND \"REVERSED\" CARBAMATES FOR PSMA-TARGETED IMAGING AGENTS AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2017-02-16 — — WO disclosed
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