SCHEMBL17778631

SCHEMBL17778631

CC(C)(OS)OCCCCOc1nccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC2C3)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ LPL P06858 2/20 0.33
▸ LIPC P11150 2/20 0.33
▸ LIPG Q9Y5X9 2/20 0.33
▸ LMNA P02545 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KMO O15229 1/20 0.32
▸ NPY2R P49146 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 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
SCHEMBL19699685 0.90 CA2 (0.37) CA2CA9LPLLIPCLIPG
SCHEMBL19706916 0.90 CA2 (0.37) CA2CA9LPLLIPCLIPG
SCHEMBL19689682 0.90 CA2 (0.37) CA2CA9LPLLIPCLIPG
SCHEMBL19689750 0.89 CA2 (0.38) CA2CA9LPLLIPCLIPG
SCHEMBL17778685 0.89 RPS6KB1 (0.33) CA2CA9LPLLIPCLIPG
SCHEMBL19706656 0.89 CA2 (0.36) CA2CA9LPLLIPCLIPG
SCHEMBL17768179 0.89 CA2 (0.36) CA2CA9LPLLIPCLIPG
SCHEMBL19689789 0.88 CA2 (0.36) CA2CA9LPLLIPCLIPG
SCHEMBL17618382 0.87 CA2 (0.39) CA2CA9LMNAMEN1KMT2A
SCHEMBL19706782 0.86 CA2 (0.36) CA2CA9LPLLIPCLIPG

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-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
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