SCHEMBL4761996

SCHEMBL4761996

Cc1c(C(=O)NC(CC(C)C)C(=O)N([C@H]2CCCNCC2=O)S(=O)(=O)c2cccc(Cl)c2)oc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CAPN1 P07384 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL4761995 1.00 MAPT (0.43) MAPTKDM4EALDH1A1KMT2AHIF1A
SCHEMBL4825088 0.93 L3MBTL1 (0.39) MAPTKDM4EALDH1A1KMT2ANPC1
SCHEMBL4825080 0.93 L3MBTL1 (0.39) MAPTKDM4EALDH1A1KMT2ANPC1
SCHEMBL4764901 0.91 MAPT (0.43) MAPTKDM4EALDH1A1KMT2ANPC1
SCHEMBL4764900 0.91 MAPT (0.43) MAPTKDM4EALDH1A1KMT2ANPC1
SCHEMBL4768953 0.87 CTSK (0.45) ALDH1A1RAB9ALMNA
SCHEMBL4768959 0.87 CTSK (0.45) ALDH1A1RAB9ALMNA
SCHEMBL4768763 0.86 RXFP1 (0.37) MAPTKDM4EALDH1A1KMT2ANPC1
SCHEMBL4770541 0.86 NPC1 (0.36) MAPTKDM4EALDH1A1KMT2AHIF1A
SCHEMBL4768759 0.86 RXFP1 (0.37) MAPTKDM4EALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1320370-A4 METHOD OF TREATMENT SMITHKLINE BEECHAM CORP (US) 2008-10-22 EP disclosed
EP-1307204-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-06-02 EP disclosed
EP-1320370-A1 METHOD OF TREATMENT SmithKline Beecham Corporation (US) 2003-06-25 EP disclosed
EP-1307204-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2003-05-07 EP disclosed
EP-1158986-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2002-03-27 EP disclosed
WO-2002017924-A1 METHOD OF TREATMENT SMITHKLINE BEECHAM CORPORATION (GB) 2002-03-07 WO disclosed
WO-2001095911-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-12-20 WO disclosed
EP-1158986-A1 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2001-12-05 EP disclosed
WO-2000038687-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-06 WO disclosed