SCHEMBL5407352

SCHEMBL5407352

COc1ccc(C(=O)c2ccc(N)c(NC(=O)c3ccc(N4CCCN(C)CC4)cc3)c2O)cc1F

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.53
KLKB1 P03952 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
FGFR1 P11362 1/20 0.48
FGFR2 P21802 1/20 0.48

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
SCHEMBL5398861 0.90 F10 (0.53) F10KLKB1NPC1POLBRAB9A
SCHEMBL9940074 0.86 F10 (0.51) F10KLKB1HDAC3HDAC8NPC1
SCHEMBL5401884 0.86 F10 (0.62) F10KLKB1HDAC3HDAC8NPC1
SCHEMBL9928692 0.83 F10 (0.62) F10KLKB1
SCHEMBL9928635 0.83 F10 (0.63) F10KLKB1
SCHEMBL9979768 0.79 F10 (0.76) F10KLKB1
SCHEMBL9940059 0.78 F10 (0.49) F10KLKB1NPC1POLBRAB9A
SCHEMBL5395001 0.77 F10 (0.64) F10KLKB1
SCHEMBL5407030 0.77 F10 (0.63) F10KLKB1
SCHEMBL5410337 0.77 NPC1 (0.55) F10KLKB1NPC1RAB9A

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-7307074-B2 Activated blood coagulation factor X inhibitor and also to such a pharmaceutical agent and particularly has an excellent activity by oral administration ASTELLAS PHARMA INC. (JP) 2007-12-11 US claimed