SCHEMBL19016930

SCHEMBL19016930

CC(C)(CC(=O)N1CC(=O)c2c([nH]c(-c3ccnc(NC(=O)[C@@H]4C[C@@H]4F)c3)c2Nc2ccccc2)C1)[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.64

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
SCHEMBL22189571 0.93 BUB1 (0.68) BUB1
SCHEMBL19017508 0.90 BUB1 (0.62) BUB1
SCHEMBL22189896 0.89 BUB1 (0.71) BUB1
SCHEMBL18987106 0.88 BUB1 (0.72) BUB1
SCHEMBL18987292 0.88 BUB1 (0.71) BUB1
SCHEMBL18986458 0.86 BUB1 (0.77) BUB1
SCHEMBL18986326 0.86 BUB1 (0.77) BUB1
SCHEMBL18986853 0.86 BUB1 (0.77) BUB1
SCHEMBL19017279 0.86 BUB1 (0.70) BUB1
SCHEMBL18986623 0.86 BUB1 (0.70) BUB1

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-2017102649-A1 HETERO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-06-22 — — WO disclosed
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