SCHEMBL20505936

SCHEMBL20505936

O=C1CCCc2[nH]c(-c3ccnc(NC(=O)C4CN(C(=O)O)C4)c3)c(Nc3ccccc3)c21

nearest known ligand 0.84

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BUB1 O43683 20/20 0.84

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
SCHEMBL17371815 0.92 BUB1 (1.00) BUB1
SCHEMBL17371890 0.91 BUB1 (1.00) BUB1
SCHEMBL17371995 0.90 BUB1 (1.00) BUB1
SCHEMBL17371916 0.89 BUB1 (1.00) BUB1
SCHEMBL20506078 0.86 BUB1 (0.81) BUB1
SCHEMBL17372126 0.86 BUB1 (1.00) BUB1
SCHEMBL18695324 0.86 BUB1 (1.00) BUB1
SCHEMBL17372137 0.86 BUB1 (1.00) BUB1
SCHEMBL18739104 0.86 BUB1 (1.00) BUB1
SCHEMBL18739463 0.86 BUB1 (1.00) 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
EP-3157914-B1 3-AMINO-1,5,6,7-TETRAHYDRO-4H-INDOL-4-ONES Bayer Pharma AG (DE) 2018-09-26 — — EP claimed
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