SCHEMBL25870779

SCHEMBL25870779

O=C1C(=Cc2ccc(N(c3cccc4ccccc34)c3cccc4ccccc34)[se]2)C(=O)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
DNMT1 P26358 1/20 0.34
MAPT P10636 10/20 0.34
ALDH1A1 P00352 8/20 0.34
HTT P42858 5/20 0.34
NPSR1 Q6W5P4 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 7/20 0.33
HPGD P15428 5/20 0.33
POLB P06746 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 5/20 0.32
PKM P14618 2/20 0.31
RECQL P46063 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LCK P06239 2/20 0.31
MAPK1 P28482 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
SCHEMBL29993362 0.93 PTPN1 (0.35) PTPN1DNMT1MAPTALDH1A1HTT
SCHEMBL17765829 0.93 PTPN1 (0.35) PTPN1DNMT1MAPTALDH1A1HTT
SCHEMBL25870777 0.89 PTPN1 (0.32) PTPN1DNMT1MAPTKMT2APKM
SCHEMBL25870789 0.86 CA1 (0.33) PTPN1MAPTKMT2AMEN1PKM
SCHEMBL17765710 0.86 SIGMAR1 (0.31) SIGMAR1
SCHEMBL25870788 0.84 CA1 (0.34) MAPTALDH1A1HTTLMNAKMT2A
SCHEMBL25870785 0.83 ACLY (0.32)
SCHEMBL25870783 0.83 PPARG (0.34) MAPTKMT2AHPGDL3MBTL1MEN1
SCHEMBL25870793 0.83 ELANE (0.36) MAPTALDH1A1NPSR1SMN1; SMN2KMT2A
SCHEMBL17765795 0.82 CYP1A1 (0.31) MAPTLMNAHPGD

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