SCHEMBL19365367

SCHEMBL19365367

CCCCCN(C(=O)NCCCCc1ccccc1)c1nc(-c2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ ASAH1 Q13510 2/20 0.38
▸ KIFC1 Q9BW19 1/20 0.38
▸ ITGB3 P05106 4/20 0.38
▸ ITGA2B P08514 4/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ MCHR1 Q99705 1/20 0.37
▸ ITGB2 P05107 1/20 0.36
▸ ICAM1 P05362 1/20 0.36
▸ ITGAL P20701 1/20 0.36
▸ FAAH O00519 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ GPR52 Q9Y2T5 1/20 0.36

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
SCHEMBL19365825 0.89 MCHR1 (0.40) TLR8CA12CA1CA2CA9
SCHEMBL19365661 0.87 MEN1 (0.39) TLR8CA12CA1CA2CA9
SCHEMBL19365656 0.82 MAPK1 (0.42) TLR8ITGB3ITGA2BHPGD
SCHEMBL19706079 0.82 CA12 (0.40) CA12CA1CA2CA9ASAH1
SCHEMBL19364790 0.82 TLR8 (0.42) TLR8ITGB3ITGA2BITGB2ICAM1
SCHEMBL19365753 0.80 CA12 (0.41) CA12CA1CA2CA9ASAH1
SCHEMBL19365846 0.79 TLR8 (0.41) TLR8MCHR1
SCHEMBL19365544 0.79 TLR8 (0.41) TLR8HPGD
SCHEMBL19364780 0.79 EPHB4 (0.41) TLR8
SCHEMBL19670314 0.78 CA1 (0.49) TLR8CA12CA1CA2CA9

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