SCHEMBL28903570

SCHEMBL28903570

CN1c2ccccc2N(C)C1Cc1ccc(C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.38
▸ CYP2A6 P11509 4/20 0.38
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A3 P47895 2/20 0.34
▸ ALDH3A1 P30838 1/20 0.34
▸ DRD1 P21728 2/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD5 P21918 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ CAPN1 P07384 1/20 0.33
▸ TYR P14679 1/20 0.32
▸ CYP2A13 Q16696 1/20 0.32
▸ PTGER4 P35408 1/20 0.32
▸ TRIM24 O15164 1/20 0.32
▸ TRIM33 Q9UPN9 1/20 0.32

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
SCHEMBL3746537 0.74 PDGFRB (0.56) ALDH1A1CYP2A6LMNAHPGDTYR
SCHEMBL4625094 0.72 ALDH1A1 (0.40) ALDH1A1CYP2A6ALDH1A3TYRCYP2A13
Bromide SCHEMBL28681008 0.72 PDGFRB (0.54) ALDH1A1CYP2A6LMNAHPGDTYR
Hydrochloric Acid SCHEMBL28692453 0.72 PDGFRB (0.54) ALDH1A1CYP2A6LMNAHPGDTYR
SCHEMBL24622329 0.67 ALDH1A1 (0.49) ALDH1A1LMNAMAPT
SCHEMBL17500316 0.66 HTR2A (0.42) ALDH1A1CYP2A6RAB9AMAPTDRD1
SCHEMBL18328075 0.66 MEN1 (0.44) ALDH1A1CYP2A6RAB9ALMNAMAPT
SCHEMBL31324044 0.65 PDGFRB (0.44) ALDH1A1LMNAMAPTHPGD
SCHEMBL31324047 0.65 PDGFRB (0.44) ALDH1A1LMNAMAPTHPGD
SCHEMBL2222928 0.65 ALDH1A1 (0.62) ALDH1A1CYP2A6RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115286808-B Organic framework material, preparation method thereof and application thereof in electrocatalytic reduction of carbon dioxide 中国科学院福建物质结构研究所 2023-06-09 — — CN claimed
CN-115286808-A Organic framework material, preparation method thereof and application of organic framework material in electrocatalytic reduction of carbon dioxide 中国科学院福建物质结构研究所 2022-11-04 — — CN claimed
CN-115286808-B Organic framework material, preparation method thereof and application thereof in electrocatalytic reduction of carbon dioxide 中国科学院福建物质结构研究所 2023-06-09 — — CN disclosed
CN-115286808-B Organic framework material, preparation method thereof and application thereof in electrocatalytic reduction of carbon dioxide 中国科学院福建物质结构研究所 2023-06-09 — — CN disclosed
CN-115286808-A Organic framework material, preparation method thereof and application of organic framework material in electrocatalytic reduction of carbon dioxide 中国科学院福建物质结构研究所 2022-11-04 — — CN disclosed
CN-115286808-A Organic framework material, preparation method thereof and application of organic framework material in electrocatalytic reduction of carbon dioxide 中国科学院福建物质结构研究所 2022-11-04 — — CN disclosed
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