SCHEMBL19670554

SCHEMBL19670554

Nc1ccc(-c2cccc(C(F)(F)F)c2)nc1N(C(=O)Nc1cccc(-c2cnc(CNC(=O)OCc3ccccc3)o2)c1)C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 3/20 0.40
▸ PTGES O14684 2/20 0.35
▸ DCUN1D1 Q96GG9 6/20 0.35
▸ VCP P55072 1/20 0.35
▸ UBE2M P61081 5/20 0.35
▸ EPHB4 P54760 1/20 0.35
▸ BTK Q06187 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ TACR1 P25103 1/20 0.34

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
SCHEMBL19706124 0.90 MGLL (0.45) MGLLPTGESDCUN1D1UBE2MPOLB
SCHEMBL19365557 0.89 MGLL (0.40) MGLLPTGESDCUN1D1EPHB4BTK
SCHEMBL19706296 0.87 POLB (0.39) DCUN1D1UBE2MEPHB4POLBRAB9A
SCHEMBL19670547 0.79 MGLL (0.39) MGLLPTGESEPHB4BTKRAF1
SCHEMBL16249968 0.78 MGLL (0.39) MGLLPTGESDCUN1D1UBE2MEPHB4
SCHEMBL19365784 0.77 POLB (0.47) DCUN1D1UBE2MPOLBRAB9A
SCHEMBL19365828 0.76 CA12 (0.46) DCUN1D1VCP
SCHEMBL19365722 0.76 POLB (0.41) DCUN1D1VCPUBE2MPOLBRAB9A
SCHEMBL19670560 0.75 POLB (0.47) POLBRAB9A
SCHEMBL19365835 0.75 CNR2 (0.53) DCUN1D1UBE2M

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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