SCHEMBL25870801

SCHEMBL25870801

O=C1C(=Cc2ccc(N(c3ccccc3)c3cc4ccccc4c4ccccc34)[se]2)C(=O)c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.33
MAPT P10636 6/20 0.32
KMT2A Q03164 6/20 0.32
USP2 O75604 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 5/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
PLA2G1B P04054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ALPL P05186 1/20 0.32
ALPI P09923 1/20 0.32
ALPG P10696 1/20 0.32
HPGD P15428 1/20 0.31
CDC25A P30304 1/20 0.31
CDC25B P30305 1/20 0.31
CTDSP1 Q9GZU7 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
SCHEMBL25870797 0.86 LCK (0.34) LCKMAPTKMT2AUSP2PKM
SCHEMBL29993362 0.86 PTPN1 (0.35) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17765829 0.86 PTPN1 (0.35) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL17765710 0.82 SIGMAR1 (0.31)
SCHEMBL17765731 0.81
SCHEMBL25870828 0.81 MAPT (0.32) MAPTKMT2AUSP2PKMMEN1
SCHEMBL25870785 0.80 ACLY (0.32)
SCHEMBL25870783 0.79 PPARG (0.34) MAPTKMT2AMEN1HPGDCDC25A
SCHEMBL25870793 0.79 ELANE (0.36) MAPTKMT2APKMMEN1ALDH1A1
SCHEMBL25870779 0.79 PTPN1 (0.38) LCKMAPTKMT2APKMMEN1

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