SCHEMBL28890994

SCHEMBL28890994

C#CCOc1ccc(N)cc1.C#CCOc1cccc(N)c1.C#Cc1ccc(N)cc1.C#Cc1cccc(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 0.48
▸ MAOA P21397 7/20 0.48
▸ CYP3A4 P08684 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ GSTP1 P09211 1/20 0.39
▸ CA12 O43570 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ APP P05067 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GFER P55789 1/20 0.36

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
SCHEMBL30121657 0.84 MAOB (0.59) MAOBMAOACYP3A4TP53ACHE
SCHEMBL2227926 0.84 MAOB (0.59) MAOBMAOACYP3A4TP53ACHE
SCHEMBL22870170 0.81 MAOB (0.51) MAOBMAOAACHEGSTP1CA12
SCHEMBL126400 0.77 CA12 (0.58) MAOBMAOACYP3A4ACHEGSTP1
SCHEMBL31691312 0.77 ALDH1A1 (0.65) MAOBMAOACYP3A4ACHEGSTP1
Hydrochloric Acid SCHEMBL19742209 0.75 CA12 (0.56) MAOBMAOACYP3A4ACHEGSTP1
SCHEMBL11358732 0.75 MAOB (0.63) MAOBMAOACYP3A4TP53TSHR
SCHEMBL20530603 0.74 MAOB (0.58) MAOBMAOACYP3A4ACHEGSTP1
SCHEMBL107461 0.73 — —
SCHEMBL29907774 0.73 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111116950-B High-performance polyimide film and preparation method thereof 株洲时代华鑫新材料技术有限公司 2022-08-23 — — CN disclosed
CN-111116950-A High-performance polyimide film and preparation method thereof 株洲时代华鑫新材料技术有限公司 2020-05-08 — — CN disclosed
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