SCHEMBL14644962

SCHEMBL14644962

COc1cc(C)cc2onc(NCC(C)(C)c3ccccc3)c12

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 12/20 0.73
KAT7 O95251 7/20 0.40
KAT6A Q92794 7/20 0.40
KAT6B Q8WYB5 4/20 0.40
KAT5 Q92993 4/20 0.40
KAT8 Q9H7Z6 4/20 0.40

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
SCHEMBL1480514 0.89 KCNA5 (0.73) KCNA5KAT7KAT6AKAT6BKAT5
SCHEMBL1480192 0.88 KCNA5 (0.72) KCNA5KAT7KAT6AKAT6BKAT5
SCHEMBL1478404 0.88 KCNA5 (0.72) KCNA5KAT7KAT6AKAT6BKAT5
SCHEMBL1478871 0.85 KCNA5 (1.00) KCNA5KAT7KAT6A
SCHEMBL1478165 0.83 KCNA5 (0.75) KCNA5KAT7KAT6A
SCHEMBL1478128 0.81 KCNA5 (0.75) KCNA5KAT7KAT6A
SCHEMBL1480217 0.80 KCNA5 (0.64) KCNA5KAT7KAT6A
SCHEMBL1477870 0.79 KCNA5 (0.72) KCNA5
SCHEMBL1478522 0.79 KCNA5 (0.62) KCNA5KAT7KAT6AKAT6BKAT5
SCHEMBL14644963 0.78 KCNA5 (0.68) KCNA5KAT7KAT6A

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
US-8357809-B2 Acyclic IKur inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-22 US disclosed