SCHEMBL28536531

SCHEMBL28536531

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.45
▸ ITGB6 P18564 1/20 0.45
▸ ITGB8 P26012 1/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ MTOR P42345 1/20 0.41
▸ SOS1 Q07889 7/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ BRAF P15056 1/20 0.39
▸ NTRK1 P04629 1/20 0.39
▸ NTRK2 Q16620 1/20 0.39
▸ TEAD4 Q15561 1/20 0.39
▸ MAPK14 Q16539 1/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CTSA P10619 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
SCHEMBL28530937 0.90 ITGA5 (0.44) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19284026 0.87 ITGA5 (0.48) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL20743128 0.86 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL30645012 0.86 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283613 0.85 ITGB6 (0.55) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283650 0.85 ITGA5 (0.44) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283618 0.84 ITGA5 (0.44) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL19283502 0.84 ITGA5 (0.45) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821307 0.84 SMN1; SMN2 (0.48) ITGA5ITGB6ITGB8NPC1RAB9A
SCHEMBL21821305 0.84 SMN1; SMN2 (0.48) 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
CN-109153667-B Novel potassium channel inhibitors 阿塞西翁制药公司 2021-04-02 — — CN claimed
CN-109153667-B Novel potassium channel inhibitors 阿塞西翁制药公司 2021-04-02 — — CN disclosed
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