SCHEMBL25870793

SCHEMBL25870793

Cc1ccc2c(c1)C(=O)/C(=C/c1ccc(N(c3ccccc3)c3cccc4ccccc34)[se]1)C2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
CSNK2A3 Q8NEV1 1/20 0.33
MAOA P21397 2/20 0.32
MAOB P27338 2/20 0.32
MEN1 O00255 4/20 0.31
MAPT P10636 4/20 0.31
KMT2A Q03164 4/20 0.31
ALDH1A1 P00352 3/20 0.31
NPC1 O15118 1/20 0.31
CRHBP P24387 1/20 0.31
RAB9A P51151 1/20 0.31
CRHR2 Q13324 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HPGD P15428 3/20 0.30
L3MBTL1 Q9Y468 3/20 0.30
CDC25A P30304 1/20 0.30
CDC25B P30305 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
SCHEMBL17765710 0.90 SIGMAR1 (0.31) SIGMAR1
SCHEMBL29993362 0.90 PTPN1 (0.35) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL17765829 0.90 PTPN1 (0.35) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL25870783 0.88 PPARG (0.34) MEN1MAPTKMT2AHPGDL3MBTL1
SCHEMBL25870785 0.87 ACLY (0.32)
SCHEMBL25870779 0.83 PTPN1 (0.38) MEN1MAPTKMT2AALDH1A1NPC1
SCHEMBL25870824 0.83
SCHEMBL17765731 0.82
SCHEMBL17765795 0.82 CYP1A1 (0.31) MAPTHPGD
SCHEMBL25870818 0.82 GPR183 (0.30)

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