SCHEMBL28622909

SCHEMBL28622909

O=C(O)[n+]1ccccc1.[Ru]

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
BCHE P06276 2/20 0.30
ACHE P22303 2/20 0.30
PABPC1 P11940 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL313063 0.97
Hydrochloric Acid SCHEMBL8068553 0.93 KMT2A (0.36) KMT2ABCHEACHEPABPC1KDM4E
Water SCHEMBL28100748 0.93 KMT2A (0.36) KMT2ABCHEACHEPABPC1KDM4E
Hydrochloric Acid SCHEMBL28191827 0.90 KMT2A (0.34) KMT2A
SCHEMBL9768846 0.79
Toluene SCHEMBL27988673 0.77 LMNA (0.50) KMT2AACHEPABPC1KDM4E
SCHEMBL11047060 0.76 KMT2A (0.32) KMT2A
Toluene SCHEMBL27988919 0.75 LMNA (0.48) KMT2AACHEPABPC1KDM4E
SCHEMBL12615013 0.73 KMT2A (0.32) KMT2A
SCHEMBL27747117 0.71 LDHA (0.40) KMT2A

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-110208346-B Biosensor for electrochemiluminescence detection of CCN1 protein and preparation method and application thereof 重庆市人民医院 2021-09-10 CN disclosed