SCHEMBL19301304

SCHEMBL19301304

CC(F)(F)OCCNC(=O)CC(Nc1nc2ccccc2[nH]1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.44
▸ ITGB6 P18564 1/20 0.44
▸ ITGB8 P26012 1/20 0.44
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ BCHE P06276 1/20 0.40
▸ RAF1 P04049 2/20 0.40
▸ BRAF P15056 1/20 0.40
▸ MTOR P42345 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ NTRK1 P04629 1/20 0.38
▸ NTRK2 Q16620 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TP53 P04637 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
SCHEMBL19283499 0.93 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283561 0.92 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283639 0.89 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19301055 0.89 ITGA5 (0.47) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821299 0.88 ITGA5 (0.43) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283463 0.87 LMNA (0.48) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283620 0.86 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283850 0.86 ITGA5 (0.48) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL29462416 0.86 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821324 0.86 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A

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-2017144183-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2017-08-31 — — WO disclosed
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