SCHEMBL29443898

SCHEMBL29443898

[2H]c1cc(N=[N+]=[N-])ccc1C=Cc1ccc(N=[N+]=[N-])cc1[2H]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41
▸ CA5A P35218 1/20 0.41
▸ CA5B Q9Y2D0 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ RAD51 Q06609 1/20 0.37
▸ CYP51A1 Q16850 2/20 0.36
▸ PTGS2 P35354 3/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ PSMB8 P28062 1/20 0.33
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33

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
SCHEMBL23854165 0.87 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL13882617 0.87 CA1 (0.47) CA1CA2CA9CA5ACA5B
SCHEMBL18130122 0.78 NQO2 (0.48) CA1CA2CA9CA5ACA5B
SCHEMBL24211777 0.78 CYP19A1 (0.48) CA1CA2CA9CA5ACA5B
SCHEMBL18130123 0.78 NQO2 (0.48) CA1CA2CA9CA5ACA5B
SCHEMBL16748959 0.76 CA1 (0.58) CA1CA2CA9CA5ACA5B
SCHEMBL13475898 0.76 CYP51A1 (0.45) CA1CA2CA9CA5ACA5B
SCHEMBL13668357 0.75 TP53 (0.42) CA1CA2CA9CA5ACA5B
SCHEMBL18845153 0.75 CA1 (0.41) CA1CA2CA9CA5ACA5B
SCHEMBL27738663 0.75 CA1 (0.41) CA1CA2CA9CA5ACA5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108848673-B Filament manufacturing apparatus 帕尔公司 2022-03-08 — — CN disclosed
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