SCHEMBL7389239

SCHEMBL7389239

N=C(N)N(Cc1ccccc1)c1nc(-c2cccc(OCCCCl)c2)cs1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
GSTO1 P78417 2/20 0.46
CPB1 P15086 1/20 0.45
PTPRB P23467 2/20 0.41
ATP4A P20648 2/20 0.40
ATP4B P51164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
F9 P00740 1/20 0.40
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
PTPRF P10586 1/20 0.38
PTPN2 P17706 1/20 0.38

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
SCHEMBL7419838 0.91 KMT2A (0.54) KMT2AMEN1NPSR1MAPTHTT
SCHEMBL9792753 0.86 KMT2A (0.57) KMT2AMEN1NPSR1MAPTHTT
SCHEMBL9789061 0.76 KMT2A (0.54) KMT2AMEN1NPSR1MAPTHTT
SCHEMBL7423607 0.73 GSTO1 (0.39) KMT2AMEN1NPSR1MAPTHTT
SCHEMBL9788995 0.72 ATP4A (0.50) KMT2AMEN1NPSR1MAPTHTT
SCHEMBL3608090 0.72 ALDH1A1 (0.49) KMT2AMEN1HTTATP4AATP4B
SCHEMBL8974692 0.70 KMT2A (0.49) KMT2AMEN1NPSR1MAPTHTT
SCHEMBL2380471 0.70 MEN1 (0.49) KMT2AMEN1NPSR1MAPTL3MBTL1
SCHEMBL9788978 0.69 ATP4A (0.53) KMT2AMEN1NPSR1MAPTHTT
SCHEMBL9789059 0.69 ATP4A (0.53) KMT2AMEN1NPSR1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015438-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2000-11-08 EP disclosed
EP-1015438-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-05 EP disclosed
WO-1999011637-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-03-11 WO disclosed