SCHEMBL31337688

SCHEMBL31337688

[N-]=[N+]=NCCOCCOc1n(Cc2ccccc2)c2ccccc2[n+]1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ NOD2 Q9HC29 1/20 0.42
▸ ABCG2 Q9UNQ0 7/20 0.35
▸ APOBEC3A P31941 2/20 0.33
▸ APOBEC3G Q9HC16 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ MGMT P16455 1/20 0.31

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
Bromide SCHEMBL31337681 0.99 KDM4E (0.43) KDM4EMEN1NPC1ALDH1A1RAB9A
SCHEMBL22366564 0.69 ABCG2 (0.42) KDM4EABCG2
Bromide SCHEMBL22366565 0.69 ABCG2 (0.41) ABCG2
Iodide SCHEMBL31337686 0.67 ABCG2 (0.33) ABCG2
Iodide SCHEMBL31337687 0.67 ABCG2 (0.33) ABCG2
SCHEMBL13671096 0.66 NAAA (0.58) KDM4EABCG2MGMT
SCHEMBL16437095 0.66 NAAA (0.58) KDM4EABCG2MGMT
SCHEMBL13654238 0.66 NAAA (0.58) KDM4EABCG2MGMT
SCHEMBL13554658 0.66 ABCG2 (0.53) KDM4EALDH1A1ABCG2
SCHEMBL13671102 0.66 NAAA (0.58) KDM4EABCG2MGMT

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-111837239-B Graphene transistor comprising a functional N-heterocyclic carbene compound, method of preparing the same, and biosensor comprising the same 韩国生命工学研究院 2024-11-26 — — CN disclosed
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