SCHEMBL28977673

SCHEMBL28977673

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 2/20 0.41
XDH P47989 1/20 0.37
MAPT P10636 4/20 0.36
THRB P10828 1/20 0.36
HDAC8 Q9BY41 1/20 0.34
TP53 P04637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.32
F2R P25116 1/20 0.31
PSMD14 O00487 1/20 0.30
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 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
Hydrochloric Acid SCHEMBL28697827 0.98 CA1 (0.43) CA1CA2XDHMAPTTHRB
SCHEMBL23931330 0.88 CA1 (0.42) CA1CA2XDHMAPTTHRB
SCHEMBL14721395 0.86 CA1 (0.44) CA1CA2
Hydrochloric Acid SCHEMBL23924841 0.85 CA1 (0.47) CA1CA2XDHMAPTTHRB
SCHEMBL534293 0.85 CA1 (0.41) CA1CA2XDHMAPTTHRB
Hydrochloric Acid SCHEMBL19810858 0.85 CA1 (0.46) CA1CA2MAPTTHRB
SCHEMBL15901622 0.84 CA1 (0.48) CA1CA2
SCHEMBL21273980 0.84 CA1 (0.48) CA1CA2
Hydrochloric Acid SCHEMBL21274325 0.83 CA1 (0.50) CA1CA2
Hydrochloric Acid SCHEMBL21274088 0.83 CA1 (0.50) CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115867586-A Electrochemically debondable adhesive compositions 汉高股份有限及两合公司 2023-03-28 CN claimed
CN-115867586-A Electrochemically debondable adhesive compositions 汉高股份有限及两合公司 2023-03-28 CN disclosed