SCHEMBL19670654

SCHEMBL19670654

CC(=O)c1ccc(NC(=O)N2CCCN(C)c3ccc(-c4cccc(C(F)(F)F)c4)nc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ PLG P00747 2/20 0.40
▸ PLAU P00749 2/20 0.40
▸ PLAT P00750 2/20 0.40
▸ CFTR P13569 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ FYN P06241 1/20 0.38
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ KIF11 P52732 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TRPV1 Q8NER1 2/20 0.37
▸ DHODH Q02127 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL19365537 0.89 CA2 (0.43) CA2CA9PLGPLAUPLAT
SCHEMBL20632673 0.86 CA2 (0.36) CA2CA9PLGPLAUPLAT
SCHEMBL16776453 0.85 CA2 (0.38) CA2CA9PLGPLAUPLAT
SCHEMBL19669976 0.84 HTR2A (0.52) CA2CA9LMNASMN1; SMN2GAA
SCHEMBL12654500 0.84 CA2 (0.44) CA2CA9SMN1; SMN2GAATRPV1
SCHEMBL16776364 0.84 CA2 (0.43) CA2CA9PLGPLAUPLAT
SCHEMBL19705998 0.84 TRPA1 (0.38) CA2CA9FYNMAPTADORA2A
SCHEMBL19670371 0.83 NAMPT (0.44) CA2CA9LMNASMN1; SMN2GAA
SCHEMBL20632523 0.83 ADORA2A (0.37) CA2CA9SMN1; SMN2FYNADORA2A
SCHEMBL19365508 0.83 FGFR4 (0.42) CA2CA9LMNAHSD17B10MEN1

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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