SCHEMBL30527280

SCHEMBL30527280

CC(C)Cn1cc(C#N)c2cc(Oc3ccc(NC(=O)[C@@H]4CCCN4)cc3)ccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 20/20 1.00
PFKFB1 P16118 19/20 1.00
PFKFB2 O60825 16/20 1.00

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
SCHEMBL21857526 1.00 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL21856777 1.00 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL21856796 0.91 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL21856810 0.91 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL21856838 0.89 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL21856830 0.89 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL21856739 0.88 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL21856704 0.88 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2
SCHEMBL28636742 0.87 PFKFB3 (0.82) PFKFB3PFKFB1PFKFB2
SCHEMBL21856728 0.87 PFKFB3 (1.00) PFKFB3PFKFB1PFKFB2

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-2023150147-A1 METHOD OF PREVENTING HEARING LOSS THE JOHNS HOPKINS UNIVERSITY (US) 2023-08-10 WO disclosed