SCHEMBL29218450

SCHEMBL29218450

CCCCNc1ncc(C(=O)OCC)c(Nc2ccccc2)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 16/20 0.62
▸ ZAP70 P43403 1/20 0.56
▸ SYK P43405 1/20 0.56
▸ RAB9A P51151 1/20 0.55
▸ NPSR1 Q6W5P4 1/20 0.55
▸ MAPK8 P45983 1/20 0.52
▸ STAT6 P42226 1/20 0.51

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
SCHEMBL30892306 1.00 SIRT5 (0.62) SIRT5ZAP70SYKRAB9ANPSR1
SCHEMBL30892310 0.88 SYK (0.62) ZAP70SYKMAPK8STAT6
SCHEMBL29218434 0.88 SYK (0.62) ZAP70SYKMAPK8STAT6
SCHEMBL30892299 0.85 FLT3 (0.52) SIRT5ZAP70SYK
SCHEMBL29218498 0.85 FLT3 (0.52) SIRT5ZAP70SYK
SCHEMBL4714679 0.82 SIRT5 (0.66) SIRT5SYKRAB9ANPSR1
SCHEMBL15059193 0.80 SIRT5 (0.55) SIRT5ZAP70SYKRAB9ANPSR1
SCHEMBL30892315 0.79 SYK (0.64) SIRT5SYKRAB9ANPSR1
SCHEMBL6641476 0.79 SYK (0.64) SIRT5SYKRAB9ANPSR1
SCHEMBL11083131 0.79 RAB9A (0.51) SIRT5RAB9ANPSR1

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
CN-117886798-A Substituted benzimidazoles and use thereof 河南中医药大学 2024-04-16 — — CN disclosed
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