SCHEMBL13458549

SCHEMBL13458549

CC([C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)[C@@H](C)CN=[N+]=[N-]

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.40
▸ BRD4 O60885 1/20 0.32

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
SCHEMBL16522617 0.87 SPHK1 (0.36) SPHK1
SCHEMBL14213005 0.87 SPHK1 (0.36) SPHK1
SCHEMBL17115522 0.85 SPHK1 (0.36) SPHK1
SCHEMBL16526350 0.79 SPHK1 (0.35) SPHK1
SCHEMBL29359270 0.79 SPHK1 (0.35) SPHK1
SCHEMBL12396343 0.77 SPHK1 (0.50) SPHK1BRD4
SCHEMBL18878400 0.77 SPHK1 (0.50) SPHK1BRD4
SCHEMBL16588188 0.76 SPHK1 (0.38) SPHK1BRD4
SCHEMBL16553345 0.76 SPHK1 (0.46) SPHK1BRD4
SCHEMBL15336587 0.76 SPHK1 (0.46) SPHK1BRD4

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-2010026124-A1 PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS NOVARTIS AG (CH) 2010-03-11 — — WO disclosed
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