SCHEMBL20053529

SCHEMBL20053529

C[C@@H](OC(=O)CN1C(=O)/C(=C2\SC(S)N(CCC(=O)O)C2=O)c2cc(Cl)ccc21)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.37
RECQL P46063 1/20 0.36
ALDH1A1 P00352 2/20 0.36
AGTR1 P30556 1/20 0.36
PTPN7 P35236 2/20 0.35
CACNA1B Q00975 2/20 0.35
APBA1 Q02410 2/20 0.35
PTPN22 Q9Y2R2 2/20 0.35
APOBEC3G Q9HC16 1/20 0.35
MDM2 Q00987 8/20 0.34
TP53 P04637 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DUSP3 P51452 1/20 0.34
PTPN12 Q05209 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32

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 0.85 CCKBR (0.39) APEX1ALDH1A1PTPN7CACNA1BAPBA1
SCHEMBL17830701 0.83 APEX1 (0.58) APEX1PTPN7CACNA1BAPBA1PTPN22
SCHEMBL20053578 0.82 APEX1 (0.35) APEX1ALDH1A1MDM2MEN1KMT2A
SCHEMBL20053526 0.81 ALDH1A1 (0.37) APEX1ALDH1A1PTPN7CACNA1BAPBA1
SCHEMBL17830800 0.78 RECQL (0.36) APEX1RECQLALDH1A1AGTR1PTPN7
SCHEMBL17830750 0.76 ALDH1A1 (0.57) RECQLALDH1A1AGTR1MEN1KMT2A
SCHEMBL20053545 0.74 EP300 (0.40) ALDH1A1PTPN7CACNA1BAPBA1PTPN22
SCHEMBL17830704 0.68 APEX1 (0.61) APEX1PTPN7CACNA1BAPBA1PTPN22
SCHEMBL17830705 0.67 APEX1 (0.61) APEX1PTPN7CACNA1BAPBA1PTPN22
SCHEMBL17830698 0.64 APEX1 (0.57) APEX1PTPN7CACNA1BAPBA1PTPN22

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