SCHEMBL28960558

SCHEMBL28960558

CCCCCN(O)C(=O)Nc1nc(SC)nc2[nH]cnc12

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ XDH P47989 4/20 0.34
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ PPARG P37231 1/20 0.31

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
SCHEMBL28965190 0.81 XDH (0.40) XDH
SCHEMBL28688018 0.73 — —
SCHEMBL28960555 0.71 MEN1 (0.38) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29124870 0.70 SYK (0.37) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17372402 0.69 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CYP2C19ADORA3
SCHEMBL29278769 0.69 SPHK1 (0.32) CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17372396 0.68 LMNA (0.42) CYP1A2CYP3A4CYP2D6CYP2C19XDH
SCHEMBL29124864 0.67 CCNE1 (0.41) XDHPPARG
SCHEMBL18548914 0.66 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19XDH
SCHEMBL28809648 0.66 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116064598-B Nucleic acid vaccine for coronavirus 苏州艾博生物科技有限公司 2024-03-12 — — CN disclosed
CN-116615472-A Polymer conjugated lipid compounds and lipid nanoparticle compositions 苏州艾博生物科技有限公司 2023-08-18 — — CN disclosed
CN-116332830-A Lipid compounds and lipid nanoparticle compositions 苏州艾博生物科技有限公司 2023-06-27 — — CN disclosed
CN-116064598-A Nucleic acid vaccine for coronavirus 苏州艾博生物科技有限公司 2023-05-05 — — CN disclosed
CN-115747223-A Nucleic acid compositions of anti-coronavirus antibodies 中国人民解放军军事科学院军事医学研究院 2023-03-07 — — CN disclosed
CN-115724920-A Nucleic acid vaccine for coronavirus and influenza virus 中国人民解放军军事科学院军事医学研究院 2023-03-03 — — CN disclosed
CN-113874507-A Nucleic acid vaccine for coronavirus 苏州艾博生物科技有限公司 2021-12-31 — — CN disclosed
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