SCHEMBL29495250

SCHEMBL29495250

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 17/20 0.60
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ WNT1 P04628 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35

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
SCHEMBL28723076 1.00 CD38 (0.60) CD38KDM4EMEN1MAPTKMT2A
SCHEMBL29495216 0.86 CD38 (0.56) CD38WNT1GSK3BDYRK1AMAP4K1
SCHEMBL28722350 0.82 CD38 (0.46) CD38
SCHEMBL29495224 0.82 CD38 (0.46) CD38
SCHEMBL28938328 0.81 CD38 (0.60) CD38
SCHEMBL29495183 0.81 CD38 (0.60) CD38
SCHEMBL22947225 0.76 CD38 (1.00) CD38
SCHEMBL28723030 0.76 CD38 (1.00) CD38
SCHEMBL31266736 0.76 MEN1 (0.46) CD38KDM4EMEN1MAPTKMT2A
SCHEMBL31484633 0.73 CD38 (0.45) CD38WNT1GSK3BDYRK1A

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-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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