SCHEMBL25870820

SCHEMBL25870820

N#Cc1cccc(N(c2ccc(C=C3C(=O)c4cc5ccccc5cc4C3=O)[se]2)c2cccc3ccccc23)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CYP19A1 P11511 1/20 0.33
STK10 O94804 1/20 0.32
SLK Q9H2G2 1/20 0.32
PER2 O15055 1/20 0.32
CRY1 Q16526 1/20 0.32
CRY2 Q49AN0 1/20 0.32

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
SCHEMBL25870788 0.95 CA1 (0.34) CA1CA2CYP19A1STK10SLK
SCHEMBL25870819 0.91 CA1 (0.34) CA1CA2CYP19A1
SCHEMBL25870810 0.91 MAOB (0.32) CA1CA2CYP19A1PER2CRY1
SCHEMBL25870826 0.90 PER2 (0.31) PER2CRY1CRY2
SCHEMBL17765710 0.88 SIGMAR1 (0.31)
SCHEMBL17765809 0.85
SCHEMBL25870789 0.85 CA1 (0.33) CA1CA2CYP19A1PER2CRY1
SCHEMBL25870814 0.85
SCHEMBL25870794 0.83 PER2 (0.34) PER2CRY1CRY2
SCHEMBL17765795 0.82 CYP1A1 (0.31)

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