SCHEMBL19669954

SCHEMBL19669954

CCN1CC[C@@H](C)N(C(=O)Nc2ccc(F)cn2)c2nc(-c3ccnc(N4CC[C@H](F)C4)c3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 2/20 0.34
▸ SCD O00767 1/20 0.34
▸ HCRTR1 O43613 2/20 0.34
▸ FAAH O00519 1/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ DYRK1A Q13627 4/20 0.32
▸ CLK2 P49760 1/20 0.32
▸ CLK3 P49761 1/20 0.32
▸ ITGB2 P05107 1/20 0.32
▸ ICAM1 P05362 1/20 0.32
▸ ITGAL P20701 1/20 0.32
▸ WNT1 P04628 2/20 0.32
▸ GSK3B P49841 2/20 0.32
▸ FGFR4 P22455 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ GRM1 Q13255 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
SCHEMBL19669950 1.00 KARS1 (0.34) KARS1SCDHCRTR1FAAHWNT3A
SCHEMBL19670006 0.90 KARS1 (0.40) KARS1FAAHDYRK1AITGB2ICAM1
SCHEMBL19670487 0.89 KARS1 (0.40) KARS1DYRK1A
SCHEMBL19670396 0.89 KARS1 (0.40) KARS1DYRK1A
SCHEMBL19670507 0.88 KARS1 (0.34) KARS1DYRK1A
SCHEMBL19670514 0.88 KARS1 (0.34) KARS1DYRK1A
SCHEMBL19670631 0.85 FAAH (0.35) KARS1FAAHITGB2ICAM1ITGAL
SCHEMBL17618688 0.85 SCD (0.38) KARS1SCDHCRTR1FAAHWNT3A
SCHEMBL17618679 0.85 SCD (0.38) KARS1SCDHCRTR1FAAHWNT3A
SCHEMBL19670490 0.84 SLC34A1 (0.36) KARS1SCDHCRTR1FAAHMAPK1

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
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