SCHEMBL30412293

SCHEMBL30412293

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

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.47
▸ ITGB6 P18564 1/20 0.47
▸ ITGB8 P26012 1/20 0.47
▸ RAF1 P04049 2/20 0.45
▸ HTT P42858 2/20 0.43
▸ KCNH2 Q12809 2/20 0.43
▸ MTOR P42345 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ BCHE P06276 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ BRAF P15056 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
SCHEMBL20792438 1.00 ITGA5 (0.47) ITGA5ITGB6ITGB8RAF1HTT
SCHEMBL20764688 0.94 ITGA5 (0.46) ITGA5ITGB6ITGB8RAF1HTT
SCHEMBL30410775 0.94 ITGA5 (0.46) ITGA5ITGB6ITGB8RAF1HTT
SCHEMBL20764647 0.90 RAF1 (0.43) ITGA5ITGB6ITGB8RAF1KCNH2
SCHEMBL20764702 0.85 ITGA5 (0.46) ITGA5ITGB6ITGB8RAF1HTT
SCHEMBL20743289 0.84 ITGA5 (0.45) ITGA5ITGB6ITGB8RAF1HTT
SCHEMBL20743024 0.84 ITGA5 (0.45) ITGA5ITGB6ITGB8RAF1HTT
SCHEMBL23679179 0.84 SLC6A2 (0.47) ITGA5ITGB6ITGB8HTTMTOR
SCHEMBL20764661 0.84 ITGA5 (0.43) ITGA5ITGB6ITGB8RAF1HTT
SCHEMBL30411814 0.84 ITGA5 (0.43) ITGA5ITGB6ITGB8RAF1HTT

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-111372928-B Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2023-05-16 — — CN claimed
CN-111372928-B Benzimidazole derivatives as potassium channel inhibitors 阿塞西翁制药公司 2023-05-16 — — CN disclosed
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