SCHEMBL19301055

SCHEMBL19301055

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.47
▸ ITGB6 P18564 1/20 0.47
▸ ITGB8 P26012 1/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ MTOR P42345 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BCHE P06276 1/20 0.39

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
SCHEMBL19300932 0.94 SMN1; SMN2 (0.44) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283608 0.91 ITGA5 (0.45) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283561 0.90 ITGA5 (0.45) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283620 0.90 ITGA5 (0.45) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283850 0.90 ITGA5 (0.48) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283463 0.90 LMNA (0.48) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19283808 0.89 ITGA5 (0.47) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL19301304 0.89 ITGA5 (0.44) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL30645019 0.89 NPC1 (0.47) ITGA5ITGB6ITGB8SMN1; SMN2NPC1
SCHEMBL20743761 0.89 NPC1 (0.47) ITGA5ITGB6ITGB8SMN1; SMN2NPC1

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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