SCHEMBL474201

SCHEMBL474201

COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2C(OC(=O)NC2CCN(C(=O)O)CC2)C(C)C)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
PKM P14618 1/20 0.45
PPARA Q07869 1/20 0.43
ACHE P22303 1/20 0.43
BACE1 P56817 1/20 0.43
MAPT P10636 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
APEX1 P27695 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL14775994 0.76 NPC1 (0.50) NPC1RAB9APKMPPARAACHE
SCHEMBL173190 0.76 NPC1 (0.44) NPC1RAB9APKMPPARAACHE
SCHEMBL2684347 0.72 PPARA (0.56) NPC1RAB9APKMPPARAALDH1A1
SCHEMBL2684459 0.72 NPC1 (0.52) NPC1RAB9APKMPPARAALDH1A1
SCHEMBL135445 0.70 NPC1 (0.49) NPC1RAB9APKMPPARAMAPT
SCHEMBL100763 0.70 NPC1 (0.48) NPC1RAB9APKMPPARAACHE
SCHEMBL136545 0.69 YAP1 (0.46) NPC1RAB9APKMPPARAACHE
SCHEMBL6103122 0.68 MEN1 (0.60) NPC1ACHEBACE1SIGMAR1ALDH1A1
SCHEMBL474209 0.67 CACNA1B (0.45) MAPTALDH1A1HPGD
SCHEMBL11897043 0.65 NPC1 (0.73) NPC1RAB9APKMACHEBACE1

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-2205593-B1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI SA (FR) 2016-01-13 EP disclosed
EP-2416777-B1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI SA (FR) 2014-11-12 EP disclosed
EP-2411009-B1 Therapeutic uses of quinazolinedione derivatives SANOFI SA (FR) 2013-03-20 EP disclosed
EP-2416777-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-15 EP disclosed
EP-2411009-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI (FR) 2012-02-01 EP disclosed
WO-2010116090-A1 THERAPEUTIC APPLICATIONS IN THE CARDIOVASCULAR FIELD OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-10-14 WO disclosed
WO-2010109148-A1 THERAPEUTIC USES OF QUINAZOLINEDIONE DERIVATIVES SANOFI-AVENTIS (FR) 2010-09-30 WO disclosed
EP-2205593-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF Sanofi-Aventis (FR) 2010-07-14 EP disclosed
WO-2009077680-A1 QUINAZOLINEDIONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USES THEREOF SANOFI-AVENTIS (FR) 2009-06-25 WO disclosed