SCHEMBL4825080

SCHEMBL4825080

Cc1c(C(=O)N[C@@H](CC(C)C)C(=O)N(C2CCCNCC2=O)S(=O)(=O)c2ccc(Cl)cc2)oc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
CAPN1 P07384 1/20 0.36
TDP1 Q9NUW8 2/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4825088 1.00 L3MBTL1 (0.39) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4761995 0.93 MAPT (0.43) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4761996 0.93 MAPT (0.43) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4764901 0.88 MAPT (0.43) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4764900 0.88 MAPT (0.43) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4768763 0.88 RXFP1 (0.37) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4768759 0.88 RXFP1 (0.37) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4770541 0.88 NPC1 (0.36) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL7161728 0.87 L3MBTL1 (0.36) L3MBTL1MAPTKMT2AKDM4EALDH1A1
SCHEMBL4765494 0.87 CTSK (0.40) NPC1RAB9ASMN1; SMN2TP53

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