SCHEMBL28928504

SCHEMBL28928504

C=Cc1ccc(Cn2cc[n+](CCCN)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
F2R P25116 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
XDH P47989 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
SCHEMBL14721395 0.86 CA1 (0.44) CA1CA2
Hydrochloric Acid SCHEMBL19810858 0.85 CA1 (0.46) CA1CA2MAPT
SCHEMBL21273980 0.84 CA1 (0.48) CA1CA2
SCHEMBL15901622 0.84 CA1 (0.48) CA1CA2
SCHEMBL23931330 0.83 CA1 (0.42) CA1CA2LMNATP53MAPT
Hydrochloric Acid SCHEMBL21274325 0.83 CA1 (0.50) CA1CA2
Hydrochloric Acid SCHEMBL21274088 0.83 CA1 (0.50) CA1CA2
SCHEMBL789901 0.82 CA1 (0.41) CA1CA2MAPT
SCHEMBL23924477 0.81 PABPC1 (0.38) CA1CA2LMNATP53MAPT
Hydrochloric Acid SCHEMBL23924841 0.80 CA1 (0.47) CA1CA2LMNATP53MAPT

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-115403502-B Ionic liquid-near infrared fluorescent probe hydrogel and preparation method and application thereof 中南民族大学 2024-01-30 CN disclosed
CN-115403502-A Ionic liquid-near infrared fluorescent probe hydrogel and preparation method and application thereof 中南民族大学 2022-11-29 CN disclosed
CN-115403502-A Ionic liquid-near infrared fluorescent probe hydrogel and preparation method and application thereof 中南民族大学 2022-11-29 CN disclosed