SCHEMBL25870827

SCHEMBL25870827

Cc1ccc(N(c2ccc(C#N)cc2)c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c2ccccc12

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.30
CA2 P00918 2/20 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
SCHEMBL25870791 0.93 MEN1 (0.33)
SCHEMBL25870826 0.91 PER2 (0.31)
SCHEMBL17765731 0.90
SCHEMBL25870819 0.89 CA1 (0.34) CA1CA2
SCHEMBL17765827 0.88 MAPT (0.34)
SCHEMBL17765812 0.86
SCHEMBL25870794 0.85 PER2 (0.34)
SCHEMBL25870789 0.83 CA1 (0.33) CA1CA2
SCHEMBL17765787 0.83
SCHEMBL17765830 0.82 ALOX5 (0.33)

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
US-11711930-B2 2023-07-25 US disclosed