SCHEMBL6706928

SCHEMBL6706928

CNC(=O)C(NCc1ccc(OCc2ccc(SC(F)(F)F)cc2)c([N+](=O)[O-])c1)C(C)O

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 12/20 0.51
CD274 Q9NZQ7 12/20 0.51
CTSV O60911 4/20 0.40
CTSL P07711 4/20 0.40
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PTPRZ1 P23471 1/20 0.35

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
SCHEMBL6691739 0.87 CD274 (0.42) PDCD1CD274PTPRZ1
SCHEMBL6691737 0.87 CD274 (0.42) PDCD1CD274PTPRZ1
SCHEMBL6688691 0.84 PDCD1 (0.44) PDCD1CD274CTSVCTSLMAPT
SCHEMBL6694008 0.82 PDCD1 (0.44) PDCD1CD274CTSVCTSLMAPT
SCHEMBL6693847 0.81 PTPRZ1 (0.54) PDCD1CD274PTPRZ1
SCHEMBL6693852 0.81 PTPRZ1 (0.54) PDCD1CD274PTPRZ1
SCHEMBL6706934 0.79 PDCD1 (0.41) PDCD1CD274CTSVCTSLMAPT
SCHEMBL6686767 0.78 CD274 (0.53) PDCD1CD274CTSVCTSLRAB9A
SCHEMBL6688302 0.77 PTPRZ1 (0.43) PDCD1CD274PTPRZ1
SCHEMBL6688301 0.77 PTPRZ1 (0.43) PDCD1CD274PTPRZ1

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
WO-2004087125-A1 AMINO ACID DERIVATIVES AS INHIBITORS OF MAMMALIAN SODIUM CHANNELS IONIX PHARMACEUTICALS LIMITED (GB) 2004-10-14 WO disclosed