SCHEMBL29495216

SCHEMBL29495216

Cc1cc2cc(-c3cncs3)cc(C(=O)O)c2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 10/20 0.56
▸ WNT1 P04628 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ DYRK1A Q13627 3/20 0.35
▸ DHODH Q02127 3/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ ESR1 P03372 1/20 0.34

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
SCHEMBL29495250 0.86 CD38 (0.60) CD38WNT1GSK3BDYRK1AMAP4K1
SCHEMBL28723076 0.86 CD38 (0.60) CD38WNT1GSK3BDYRK1AMAP4K1
SCHEMBL29495257 0.81 CD38 (0.41) CD38DHODH
SCHEMBL29495213 0.78 CD38 (0.54) CD38
SCHEMBL31266813 0.72 DHODH (0.43) DHODH
SCHEMBL5188098 0.68 AKR1C4 (0.42) DYRK1ADHODHCYP19A1
SCHEMBL29495224 0.68 CD38 (0.46) CD38
SCHEMBL28722350 0.68 CD38 (0.46) CD38
SCHEMBL1784081 0.68 ALDH1A1 (0.47) CD38
SCHEMBL23304628 0.68 CD38 (0.64) CD38

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 4 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
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 — — EP disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 — — CN disclosed
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