SCHEMBL29629031

SCHEMBL29629031

O=Cc1cc2ccccc2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 1.00
GSK3B P49841 1/20 0.50
BCL2L1 Q07817 1/20 0.47
ERN1 O75460 2/20 0.46
CA2 P00918 2/20 0.46
TUBB4A P04350 2/20 0.45
TUBB P07437 2/20 0.45
TUBA3C P0DPH7 2/20 0.45
TUBA1B P68363 2/20 0.45
TUBA4A P68366 2/20 0.45
TUBB4B P68371 2/20 0.45
TUBB3 Q13509 2/20 0.45
TUBB2A Q13885 2/20 0.45
TUBB8 Q3ZCM7 2/20 0.45
TUBA3E Q6PEY2 2/20 0.45
TUBA1A Q71U36 2/20 0.45
TUBA1C Q9BQE3 2/20 0.45
TUBB6 Q9BUF5 2/20 0.45
TUBB2B Q9BVA1 2/20 0.45
TUBB1 Q9H4B7 2/20 0.45

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
SCHEMBL56884 1.00 CYP2A6 (1.00) CYP2A6GSK3BBCL2L1ERN1CA2
Hydrochloric Acid SCHEMBL31458505 0.98 CYP2A6 (0.96) CYP2A6GSK3BBCL2L1ERN1CA2
SCHEMBL17666728 0.83 CYP2A6 (0.71) CYP2A6GSK3BBCL2L1ERN1CA2
SCHEMBL8038999 0.80 CYP2A6 (0.67) CYP2A6GSK3BBCL2L1ERN1CA2
SCHEMBL8038997 0.80 CYP2A6 (0.67) CYP2A6GSK3BBCL2L1ERN1CA2
SCHEMBL2902480 0.80 CYP2A6 (0.67) CYP2A6GSK3BBCL2L1CA2TUBB4A
SCHEMBL30828502 0.79 CYP2A6 (0.66) CYP2A6GSK3BBCL2L1ERN1CA2
SCHEMBL7416778 0.78 CYP2A6 (0.64) CYP2A6GSK3BBCL2L1ERN1CA2
SCHEMBL7079637 0.78 CYP2A6 (0.64) CYP2A6GSK3BBCL2L1CA2TUBB4A
SCHEMBL1567214 0.78 CYP2A6 (0.64) CYP2A6GSK3BBCL2L1CA2TUBB4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119998391-A High refractive index polyvinyl acetal resins modified with cyclic aldehydes 伊士曼化工公司 2025-05-13 CN disclosed
WO-2025088634-A1 A PROCESS FOR THE PREPARATION OF GLIFLOZIN AGLYCONES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2025-05-01 WO disclosed
CN-119677734-A Aromatic heterocyclic cyclohexane amino alkyl piperidine derivative, preparation method and application thereof 江苏恩华药业股份有限公司 2025-03-21 CN disclosed
CN-119666797-A Method for rapidly evaluating sperm motility and sperm quality in multi-dimension manner 中国药科大学 2025-03-21 CN disclosed
CN-118853682-A Novel DNA nucleic acid aptamer molecule, and compound and application thereof 华东理工大学 2024-10-29 CN disclosed
CN-118853680-A Novel DNA nucleic acid aptamer molecule, and compound and application thereof 华东理工大学 2024-10-29 CN disclosed
CN-114716289-B Preparation method of chiral benzyl alcohol derivative 华中师范大学 2024-03-01 CN disclosed
WO-2024032530-A1 AROMATIC HETEROCYCLIC CYCLOHEXYL AMINOALKYL PIPERIDINE DERIVATIVE, PREPARATION METHOD AND USE THEREOF 江苏恩华药业股份有限公司 2024-02-15 WO disclosed
CN-117305308-A High-stability nucleic acid aptamer molecule, and compound and application thereof 华东理工大学 2023-12-29 CN disclosed
CN-112912073-B Solar cell dyes for copper redox-based dye sensitized solar cells and combinations thereof 环境光子学公司 2023-11-28 CN disclosed
CN-114436767-B Method for preparing alcohol compound based on zinc acetate catalytic carbonyl reduction 延安大学 2023-05-26 CN disclosed
CN-115704025-A Novel nucleic acid molecule detection and quantification technology 华东理工大学 2023-02-17 CN disclosed
CN-111592472-B Fluorescent dye and preparation method and application thereof 纳莹(上海)生物科技有限公司 2022-10-21 CN disclosed
CN-114436767-A Method for preparing alcohol compound based on carbonyl reduction catalyzed by zinc acetate 延安大学 2022-05-06 CN disclosed
CN-112250638-B 1, 3-diaryl-1, 2, 4-triazole compound and preparation method and application thereof 郑州大学 2022-05-03 CN disclosed