SCHEMBL20053578

SCHEMBL20053578

O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)OCc3cccc(Cl)c3)c3ccc(Cl)cc32)SC1S

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.35
CCKBR P32239 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
ALDH1A1 P00352 3/20 0.34
ALDH2 P05091 2/20 0.34
ALDH3A1 P30838 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP12 P39900 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL20053515 0.95 CCKBR (0.39) APEX1CCKBRALDH1A1ALDH2ALDH3A1
SCHEMBL20053526 0.90 ALDH1A1 (0.37) APEX1CCKBRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL17830698 0.82 APEX1 (0.57) APEX1MAPTMEN1KMT2A
SCHEMBL20053529 0.82 APEX1 (0.37) APEX1ALDH1A1MDM2MEN1KMT2A
SCHEMBL17830705 0.77 APEX1 (0.61) APEX1MAPTMEN1KMT2A
SCHEMBL17830700 0.77 MEN1 (0.55) APEX1MAPTMEN1KMT2A
SCHEMBL20053545 0.77 EP300 (0.40) ALDH1A1FFAR1FFAR4MDM2MEN1
SCHEMBL17830696 0.77 APEX1 (0.54) APEX1MAPTMEN1KMT2A
SCHEMBL17830694 0.75 PTPN7 (0.56) APEX1MAPTMEN1KMT2A
SCHEMBL17830745 0.75 ALDH1A1 (0.56) ALDH1A1ALDH2ALDH3A1MMP1MMP2

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-9943506-B2 BCL6 inhibitors as anticancer agents CORNELL UNIVERSITY (US) 2018-04-17 US disclosed