SCHEMBL28960559

SCHEMBL28960559

CCCCCNC(=O)N(O)c1nc(SC)nc2nc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ XDH P47989 6/20 0.42
▸ HTT P42858 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NCOA3 Q9Y6Q9 1/20 0.36
▸ POLA1 P09884 1/20 0.36
▸ CDK1 P06493 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CCNA1 P78396 1/20 0.35
▸ HSP90AB1 P08238 3/20 0.35
▸ EPHX1 P07099 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ PAK1 Q13153 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
SCHEMBL28965192 0.81 HTT (0.54) CYP3A4XDHHTTNCOA1SMN1; SMN2
SCHEMBL28688022 0.74 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19CDK1
SCHEMBL31360412 0.74 CYP1A2 (0.37) CYP1A2CYP3A4CYP2D6CYP2C19CDK1
SCHEMBL31511880 0.67 HTT (0.39) CYP1A2CYP3A4CYP2D6CYP2C19XDH
SCHEMBL17372406 0.65 CYP1A2 (0.49) CYP1A2CYP3A4CYP2D6CYP2C19SMN1; SMN2
SCHEMBL25285734 0.65 XDH (0.46) CYP1A2CYP3A4CYP2D6CYP2C19XDH
SCHEMBL10379705 0.65 CYP1A2 (0.47) CYP1A2CYP3A4CYP2D6CYP2C19HSP90AB1
SCHEMBL31439422 0.64 HTT (0.59) HTTNCOA1SMN1; SMN2NCOA3CDK2
SCHEMBL639898 0.63 DPP4 (0.56) CYP1A2CYP3A4CYP2D6CYP2C19XDH
SCHEMBL9351658 0.63 CYP1A2 (0.51) CYP1A2CYP3A4CYP2D6CYP2C19XDH

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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