SCHEMBL19361189

SCHEMBL19361189

O=C1C=CC2=C(c3ccc(NC(=S)NCc4ccc(NC(=O)N5c6nc(-c7cccc(C(F)(F)F)c7)ccc6N6CC[C@H]5C6)cc4)cc3C(=O)O)C3C=CC(O)=CC3OC2=C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 1/20 0.31

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
SCHEMBL17618735 0.95 LMNA (0.30) —
SCHEMBL19669056 0.77 CA1 (0.52) —
SCHEMBL19669980 0.75 CA1 (0.51) —
SCHEMBL19365748 0.75 CA1 (0.51) —
SCHEMBL19365512 0.75 — —
SCHEMBL19862439 0.74 KMT2A (0.41) —
SCHEMBL16754369 0.73 IDH2 (0.41) —
SCHEMBL16250003 0.71 CA2 (0.42) —
SCHEMBL17618888 0.71 NAMPT (0.42) —
SCHEMBL16249987 0.71 KDM4E (0.41) —

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
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