SCHEMBL29017147

SCHEMBL29017147

O=C(Cc1cccc(OC(F)F)c1)Nc1nnc(N[C@@H]2CCN(c3nc4ncccc4s3)C2)s1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.58
▸ GLS O94925 19/20 0.55

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
SCHEMBL29017137 0.92 KCNH2 (0.58) KCNH2GLS
SCHEMBL29017140 0.92 KCNH2 (0.58) KCNH2GLS
SCHEMBL29017117 0.88 GLS (0.59) KCNH2GLS
SCHEMBL29017115 0.88 GLS (0.59) KCNH2GLS
SCHEMBL29017110 0.87 GLS (0.57) KCNH2GLS
SCHEMBL29017108 0.87 GLS (0.57) KCNH2GLS
SCHEMBL29017195 0.86 GLS (0.57) KCNH2GLS
SCHEMBL29017144 0.86 GLS (0.59) KCNH2GLS
SCHEMBL29017163 0.85 GLS (0.62) KCNH2GLS
SCHEMBL29017188 0.84 GLS (0.59) KCNH2GLS

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-115594683-B Glutaminase GLS1 inhibitor and preparation method and application thereof 杭州禹胜医药科技有限公司 2023-06-16 — — CN disclosed
CN-115594683-A Glutaminase GLS1 inhibitor and preparation method and application thereof 杭州禹胜医药科技有限公司(CN) 2023-01-13 — — CN disclosed
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