SCHEMBL20053515

SCHEMBL20053515

O=C(O)CCN1C(=O)/C(=C2/C(=O)N(CC(=O)OCc3ccccc3)c3ccc(Cl)cc32)SC1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.39
APEX1 P27695 3/20 0.38
ALDH1A1 P00352 3/20 0.37
ALDH2 P05091 2/20 0.37
ALDH3A1 P30838 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDR P35968 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
PTPN7 P35236 2/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
PTPN22 Q9Y2R2 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN12 Q05209 1/20 0.35

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
SCHEMBL20053578 0.95 APEX1 (0.35) CCKBRAPEX1ALDH1A1ALDH2ALDH3A1
SCHEMBL20053526 0.93 ALDH1A1 (0.37) CCKBRAPEX1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL20053529 0.85 APEX1 (0.37) APEX1ALDH1A1MEN1KMT2APTPN7
SCHEMBL17830705 0.82 APEX1 (0.61) APEX1MEN1KMT2AMAPTPTPN7
SCHEMBL20053545 0.79 EP300 (0.40) ALDH1A1MEN1KMT2APTPN7CACNA1B
SCHEMBL17832352 0.77 APEX1 (0.57) APEX1MEN1KMT2AMAPTPTPN7
SCHEMBL17830794 0.77 CCKBR (0.38) CCKBRAPEX1ALDH1A1ALDH2ALDH3A1
SCHEMBL17830698 0.77 APEX1 (0.57) APEX1MEN1KMT2AMAPTPTPN7
SCHEMBL17830710 0.75 ALDH1A1 (0.64) CCKBRALDH1A1ALDH2ALDH3A1KMT2A
SCHEMBL17830695 0.75 KAT2B (0.54) APEX1MEN1KMT2AMAPTPTPN7

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