SCHEMBL29915528

SCHEMBL29915528

O=C(c1cccnc1)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
APP P05067 1/20 0.71
GAA P10253 1/20 0.71
HCAR3 P49019 1/20 0.71
HCAR2 Q8TDS4 1/20 0.71
F7 P08709 1/20 0.68
F3 P13726 1/20 0.68
SARM1 Q6SZW1 1/20 0.68
SIRT2 Q8IXJ6 1/20 0.68
SIRT6 Q8N6T7 1/20 0.68
SIRT1 Q96EB6 1/20 0.68
SIRT3 Q9NTG7 1/20 0.68
SIRT5 Q9NXA8 1/20 0.68
SIRT4 Q9Y6E7 1/20 0.68
HDAC1 Q13547 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
PLOD2 O00469 2/20 0.59
LMNA P02545 3/20 0.57
THRB P10828 1/20 0.57
HIF1A Q16665 1/20 0.57

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
SCHEMBL1242243 1.00 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
Hydrochloric Acid SCHEMBL27841975 0.98 ALDH1A1 (0.68) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL30706508 0.93 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL125431 0.93 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL18228407 0.91 MEN1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
Bicarbonate SCHEMBL29556909 0.91 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
Hydrochloric Acid SCHEMBL27691744 0.91 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL8054770 0.88 ALDH1A1 (0.74) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL9313117 0.88 ESR1 (0.59) ALDH1A1APPGAAHCAR3HCAR2
Methylamine SCHEMBL28758015 0.88 ALDH1A1 (0.62) ALDH1A1APPGAAHCAR3HCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116497375-A Method for electrochemically preparing benzyl alcohol 中国科学院化学研究所 2023-07-28 CN claimed
WO-2025121854-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2025-06-12 WO disclosed
CN-111788195-B Protein kinase MKK4 inhibitors for promoting liver regeneration or reducing or preventing hepatocyte death 海帕瑞吉尼克斯股份有限公司 2023-11-21 CN disclosed
CN-116497375-A Method for electrochemically preparing benzyl alcohol 中国科学院化学研究所 2023-07-28 CN disclosed
CN-111393434-B Substituted 4-phenylpiperidines, their preparation and use 哥伦比亚大学董事会 2022-11-04 CN disclosed