SCHEMBL30050643

SCHEMBL30050643

[C-]#[N+]c1ccccc1[N+]#[C-]

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.31
ALOX12 P18054 1/20 0.31
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL409191 1.00 CYP2A6 (0.31) CYP2A6ALOX12HDAC8HDAC6
SCHEMBL8531624 0.96
SCHEMBL29955606 0.83 HDAC8 (0.38) ALOX12HDAC8HDAC6
SCHEMBL29954595 0.78
SCHEMBL653876 0.78
SCHEMBL29951766 0.78
SCHEMBL29953266 0.78
SCHEMBL10254578 0.78
SCHEMBL7911284 0.78
SCHEMBL13167873 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122103038-A Mild synthesis method of selenourea benzimidazole derivative 2026-05-29 CN disclosed
CN-110366449-B Catalyst for hydrosilylation, hydrogenation, and hydrosilane reduction 国立大学法人九州大学 2022-10-21 CN disclosed
CN-110382512-B Method for producing transition metal-isonitrile complex 国立大学法人九州大学 2022-09-16 CN disclosed