SCHEMBL30645012

SCHEMBL30645012

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGA5 P08648 1/20 0.45
▸ ITGB6 P18564 1/20 0.45
▸ ITGB8 P26012 1/20 0.45
▸ RAB9A P51151 4/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ MTOR P42345 1/20 0.42
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ NTRK1 P04629 1/20 0.40
▸ NTRK2 Q16620 1/20 0.40
▸ TEK Q02763 3/20 0.39
▸ KDR P35968 2/20 0.39
▸ SOS1 Q07889 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 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
SCHEMBL20743128 1.00 ITGA5 (0.45) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL21821308 0.89 ITGA5 (0.43) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL29462407 0.89 ITGA5 (0.43) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL19283701 0.88 ITGA5 (0.43) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL19283637 0.88 ITGA5 (0.47) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL19284026 0.87 ITGA5 (0.48) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL19283650 0.87 ITGA5 (0.44) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL19283502 0.86 ITGA5 (0.45) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL28536531 0.86 ITGA5 (0.45) ITGA5ITGB6ITGB8RAB9ANPC1
SCHEMBL19283618 0.86 ITGA5 (0.44) ITGA5ITGB6ITGB8RAB9ANPC1

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-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN claimed
CN-111344281-B Potassium channel inhibitors substituted benzimidazoles 阿塞西翁制药公司 2023-11-14 — — CN disclosed
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