SCHEMBL3242979

SCHEMBL3242979

CC(C)(C)OC(=O)N[C@@H]1CCN(S(=O)(=O)c2ccc3[nH]c(=O)c4[nH]cc(C(=O)O)c4c3c2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
BRD4 O60885 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 5/20 0.42
HSD17B10 Q99714 4/20 0.42
GAA P10253 3/20 0.42
HPGD P15428 2/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 1/20 0.39
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38
JAK3 P52333 1/20 0.38
USP2 O75604 1/20 0.37
PTPN7 P35236 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL3242728 1.00 KDM4E (0.45) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL3242729 1.00 KDM4E (0.45) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL3245428 0.90 BRD4 (0.44) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL3246034 0.89 KDM4E (0.44) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL13928189 0.89 BRD4 (0.44) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL3242978 0.87 KDM4E (0.50) KDM4EHTTMAPTHSD17B10GAA
SCHEMBL4161880 0.86 BRD4 (0.43) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL4717664 0.85 BRD4 (0.46) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL3247885 0.84 BRD4 (0.44) KDM4EBRD4HTTMAPTHSD17B10
SCHEMBL3246028 0.84 KDM4E (0.44) KDM4EHTTMAPTHSD17B10GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685091-B1 M-DIAMINOBENZOLES AND THE ACIDIC ADDUCTS THEREOF AND USE THEREOF IN COLOURING AGENTS PROCTER & GAMBLE (US) 2010-05-19 EP disclosed
EP-1899335-B1 PYRROLOQUINOLINE DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS PF MEDICAMENT (FR) 2010-05-19 EP disclosed