SCHEMBL25870812

SCHEMBL25870812

O=C1C(=Cc2ccc(N(c3ccccc3)c3cc4ccccc4s3)[se]2)C(=O)c2cc3ccccc3cc21

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 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
SCHEMBL25870774 0.95 ALDH1A1 (0.32) GSK3B
SCHEMBL25870828 0.79 MAPT (0.32)
SCHEMBL18913233 0.79 ALDH1A1 (0.39) GSK3B
SCHEMBL17765710 0.78 SIGMAR1 (0.31)
SCHEMBL25870811 0.76 CA1 (0.31)
SCHEMBL17765731 0.75
SCHEMBL25870773 0.74 ALDH1A1 (0.45)
SCHEMBL22808650 0.74 MAPT (0.34) GSK3B
SCHEMBL12761377 0.74 CYP2A6 (0.40) GSK3B
SCHEMBL12761359 0.74 KMT2A (0.36) GSK3B

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