SCHEMBL474154

SCHEMBL474154

COC(=O)c1cc(CNC(=O)OC(C)(C)C)ccc1NC1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
NAMPT P43490 1/20 0.40
YAP1 P46937 1/20 0.39
ROCK2 O75116 2/20 0.39
LMNA P02545 1/20 0.39
BRD4 O60885 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC1 Q13547 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL135627 0.88 HTT (0.47) YAP1LMNABRD4NPC1HTT
SCHEMBL14775699 0.81 ALDH1A1 (0.40) ALDH1A1NAMPTLMNAMAPTL3MBTL1
SCHEMBL8801990 0.78 BRD4 (0.43) ALDH1A1NAMPTBRD4NPC1MAPT
SCHEMBL474143 0.77 MEN1 (0.38) ALDH1A1NAMPTLMNA
SCHEMBL1205921 0.75 TSHR (0.47) ALDH1A1NAMPTLMNAMAPTL3MBTL1
SCHEMBL14775718 0.74 YAP1 (0.42) ALDH1A1YAP1LMNAMAPT
SCHEMBL7885460 0.74 HTT (0.44) NPC1MAPTHTTRAB9A
SCHEMBL30965061 0.74 TSHR (0.46) ALDH1A1NAMPTLMNABRD4MAPT
SCHEMBL7930745 0.74 TSHR (0.46) ALDH1A1NAMPTLMNABRD4MAPT
SCHEMBL474209 0.73 CACNA1B (0.45) ALDH1A1YAP1MAPT

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 7 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