SCHEMBL25870683

SCHEMBL25870683

Cc1ccc(N(c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)[se]2)c2ccc(C)c3ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.32
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
NOX4 Q9NPH5 1/20 0.32
NOX1 Q9Y5S8 1/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
POLB P06746 1/20 0.30
RECQL P46063 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
SCHEMBL25870681 0.94 MAPT (0.33) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25870717 0.92 MAPT (0.32) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25870718 0.90 NOX4 (0.31) MAPTKMT2AMEN1SMN1; SMN2NOX4
SCHEMBL25870682 0.88 NOX4 (0.32) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25870688 0.85 MAPT (0.36) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL18863386 0.85 MAPT (0.39) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25870729 0.84 LMNA (0.34) MAPTKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL17765824 0.84 CES1 (0.34) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25870706 0.83 MAPT (0.32) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL25870702 0.83 MAPT (0.32) MAPTKMT2AMEN1SMN1; SMN2ALDH1A1

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