SCHEMBL19365825

SCHEMBL19365825

CCCCCN(C(=O)NCCc1ccncc1)c1nc(-c2cccc(C(F)(F)F)c2)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.40
▸ EPHB4 P54760 2/20 0.40
▸ 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
▸ KIFC1 Q9BW19 1/20 0.38
▸ PDE4A P27815 4/20 0.37
▸ PDE4B Q07343 4/20 0.37
▸ PDE4C Q08493 4/20 0.37
▸ PDE4D Q08499 4/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ ITGB3 P05106 1/20 0.37
▸ ITGA2B P08514 1/20 0.37
▸ ELANE P08246 1/20 0.36
▸ CTSS P25774 2/20 0.36
▸ CTSK P43235 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CTSL P07711 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
SCHEMBL19365661 0.92 MEN1 (0.39) MCHR1EPHB4TLR8CA12CA1
SCHEMBL19365367 0.89 TLR8 (0.40) MCHR1TLR8CA12CA1CA2
SCHEMBL19364790 0.85 TLR8 (0.42) EPHB4TLR8ITGB3ITGA2BCYP1A2
SCHEMBL19365656 0.84 MAPK1 (0.42) TLR8ITGB3ITGA2BCYP1A2CYP3A4
SCHEMBL19670398 0.79 CTSK (0.38) EPHB4CA12CA1CA2CA9
SCHEMBL19365544 0.79 TLR8 (0.41) EPHB4TLR8
SCHEMBL19365846 0.79 TLR8 (0.41) MCHR1TLR8PIK3CDPIK3CAPIK3CG
SCHEMBL19364780 0.79 EPHB4 (0.41) EPHB4TLR8PIK3CDPIK3CAPIK3CG
SCHEMBL19365630 0.78 CTSK (0.38) EPHB4CA12CA1CA2CA9
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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