SCHEMBL25870682

SCHEMBL25870682

Cc1ccc(N(c2ccc(C=C3C(=O)N(C)C(=S)N(C)C3=O)[se]2)c2cccc3ccccc23)cc1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOX4 Q9NPH5 2/20 0.32
NOX1 Q9Y5S8 2/20 0.32
MAPT P10636 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 2/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HPGD P15428 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
SCHEMBL18863392 0.93 MAPT (0.33) NOX4MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25870726 0.92 LMNA (0.34) MAPTMEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL25870705 0.91 MAPT (0.32) NOX4NOX1MAPTMEN1KMT2A
SCHEMBL25870683 0.88 MAPT (0.32) NOX4NOX1MAPTMEN1KMT2A
SCHEMBL25870718 0.87 NOX4 (0.31) NOX4NOX1MAPTMEN1KMT2A
SCHEMBL25870674 0.86 KMT2A (0.38) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL25870688 0.85 MAPT (0.36) NOX4NOX1MAPTMEN1KMT2A
SCHEMBL18863386 0.85 MAPT (0.39) NOX4NOX1MAPTMEN1KMT2A
SCHEMBL18863388 0.84 KDM4E (0.31) MEN1KMT2AALDH1A1
SCHEMBL25870681 0.82 MAPT (0.33) NOX4MAPTMEN1KMT2ASMN1; SMN2

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