SCHEMBL20053545

SCHEMBL20053545

COc1ccc(COCCN2C(=O)/C(=C3\SC(S)N(CCC(=O)O)C3=O)c3cc(Cl)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.40
CREBBP Q92793 1/20 0.40
KAT2A Q92830 1/20 0.40
KAT2B Q92831 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.38
PTPN7 P35236 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MDM2 Q00987 2/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
FFAR1 O14842 2/20 0.33
CHRM5 P08912 1/20 0.33
CCR2 P41597 1/20 0.33
CYP2C19 P33261 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 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
SCHEMBL16366716 0.83 KAT2B (0.57) EP300CREBBPKAT2AKAT2BPTPN7
SCHEMBL20053526 0.81 ALDH1A1 (0.37) EP300CREBBPKAT2AKAT2BPTPN7
SCHEMBL20053515 0.79 CCKBR (0.39) PTPN7CACNA1BAPBA1APOBEC3GPTPN22
SCHEMBL20053578 0.77 APEX1 (0.35) KDM4EHPGDMDM2FFAR1ALDH1A1
SCHEMBL16366700 0.75 CHRM5 (0.53) CHRM5ALDH1A1MEN1KMT2APARK7
SCHEMBL20053529 0.74 APEX1 (0.37) PTPN7CACNA1BAPBA1APOBEC3GPTPN22
SCHEMBL17830693 0.71 PTPN7 (0.60) EP300CREBBPKAT2AKAT2BPTPN7
SCHEMBL17830758 0.65 ALDH3A1 (0.54) CHRM5ALDH1A1MEN1KMT2A
SCHEMBL17830694 0.64 PTPN7 (0.56) EP300CREBBPKAT2AKAT2BPTPN7
SCHEMBL17832352 0.64 APEX1 (0.57) EP300CREBBPKAT2AKAT2BPTPN7

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