SCHEMBL20053526

SCHEMBL20053526

Cc1ccc(COC(=O)CN2C(=O)/C(=C3\SC(S)N(CCC(=O)O)C3=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
EP300 Q09472 2/20 0.37
CREBBP Q92793 2/20 0.37
KAT2A Q92830 2/20 0.37
KAT2B Q92831 2/20 0.37
FFAR1 O14842 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
GAA P10253 1/20 0.34
MDM2 Q00987 1/20 0.34
KDM4E B2RXH2 2/20 0.33
APEX1 P27695 1/20 0.33
CCKBR P32239 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.33
PTPN7 P35236 1/20 0.32
CACNA1B Q00975 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 0.93 CCKBR (0.39) ALDH1A1APEX1CCKBRSMN1; SMN2L3MBTL1
SCHEMBL20053578 0.90 APEX1 (0.35) ALDH1A1FFAR1FFAR4MDM2KDM4E
SCHEMBL17830695 0.83 KAT2B (0.54) EP300CREBBPKAT2AKAT2BAPEX1
SCHEMBL20053529 0.81 APEX1 (0.37) ALDH1A1MDM2KDM4EAPEX1HPGD
SCHEMBL20053545 0.81 EP300 (0.40) ALDH1A1EP300CREBBPKAT2AKAT2B
SCHEMBL17830797 0.78 ALDH1A1 (0.37) ALDH1A1EP300CREBBPKAT2AKAT2B
SCHEMBL17832352 0.77 APEX1 (0.57) EP300CREBBPKAT2AKAT2BAPEX1
SCHEMBL17830742 0.75 ALDH1A1 (0.63) ALDH1A1GAASMN1; SMN2LMNAMAPT
SCHEMBL17830693 0.75 PTPN7 (0.60) ALDH1A1EP300CREBBPKAT2AKAT2B
SCHEMBL17830705 0.75 APEX1 (0.61) EP300CREBBPKAT2AKAT2BAPEX1

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