SCHEMBL19284028

SCHEMBL19284028

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A9 P48067 4/20 0.47
▸ ITGA5 P08648 1/20 0.46
▸ ITGB6 P18564 1/20 0.46
▸ ITGB8 P26012 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ TEAD4 Q15561 1/20 0.40
▸ LPAR2 Q9HBW0 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTSA P10619 1/20 0.39
▸ ITGB3 P05106 1/20 0.38
▸ ITGAV P06756 1/20 0.38
▸ RAF1 P04049 1/20 0.38

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
SCHEMBL30411814 0.88 ITGA5 (0.43) SLC6A9ITGA5ITGB6ITGB8NPC1
SCHEMBL20764661 0.88 ITGA5 (0.43) SLC6A9ITGA5ITGB6ITGB8NPC1
SCHEMBL19284026 0.87 ITGA5 (0.48) ITGA5ITGB6ITGB8TDP1NPC1
SCHEMBL19283613 0.85 ITGB6 (0.55) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821295 0.83 ITGA5 (0.47) ITGA5ITGB6ITGB8TDP1NPC1
SCHEMBL20743289 0.83 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20743024 0.83 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL30410775 0.83 ITGA5 (0.46) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20764688 0.83 ITGA5 (0.46) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283611 0.82 ITGA5 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419973-A1 NOVEL POTASSIUM CHANNEL INHIBITORS Acesion Pharma ApS (DK) 2019-01-02 — — EP disclosed
WO-2017144183-A1 NOVEL POTASSIUM CHANNEL INHIBITORS ACESION PHARMA APS (DK) 2017-08-31 — — WO disclosed
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