SCHEMBL29495213

SCHEMBL29495213

O=C(O)c1cc(-c2cncs2)cc2cc[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 8/20 0.54
▸ IKBKB O14920 8/20 0.49
▸ CHUK O15111 7/20 0.49
▸ KEAP1 Q14145 1/20 0.43
▸ GHSR Q92847 1/20 0.39
▸ XDH P47989 1/20 0.39
▸ SLC22A12 Q96S37 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
SCHEMBL28938328 0.85 CD38 (0.60) CD38IKBKBCHUK
SCHEMBL29495183 0.85 CD38 (0.60) CD38IKBKBCHUK
SCHEMBL30261809 0.79 CD38 (0.64) CD38GHSRXDH
SCHEMBL23304628 0.79 CD38 (0.64) CD38GHSRXDH
SCHEMBL22936248 0.79 CD38 (0.71) CD38
SCHEMBL29495216 0.78 CD38 (0.56) CD38
SCHEMBL31266813 0.76 DHODH (0.43) —
SCHEMBL29495257 0.74 CD38 (0.41) CD38
SCHEMBL3796186 0.74 IKBKB (0.77) CD38IKBKBCHUKKEAP1
SCHEMBL23305703 0.74 IKBKB (0.46) IKBKBCHUKKEAP1XDHSLC22A12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 — — CN disclosed
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 — — CN disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN disclosed
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