SCHEMBL474222

SCHEMBL474222

COC(=O)c1cc(OCC(F)F)ccc1NC1CCN(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.42
MAPT P10636 2/20 0.39
NOS1 P29475 3/20 0.38
NOS2 P35228 3/20 0.38
ACACB O00763 3/20 0.38
NOS3 P29474 2/20 0.37
CHEK1 O14757 1/20 0.37
CHEK2 O96017 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
PLK4 O00444 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
OPRK1 P41145 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL100685 0.87 ALDH1A1 (0.53) MAPTALDH1A1
SCHEMBL14775718 0.85 YAP1 (0.42) YAP1MAPTNOS1NOS2NOS3
SCHEMBL474209 0.84 CACNA1B (0.45) YAP1MAPTALDH1A1KDM4EGAA
SCHEMBL474228 0.77 CYP2D6 (0.37) ACACB
SCHEMBL474227 0.77 DRD2 (0.34) MAPTNOS1NOS2NOS3ALDH1A1
SCHEMBL99959 0.74 PRMT5 (0.55) YAP1MAPTALDH1A1KDM4E
SCHEMBL100237 0.73 ALDH1A1 (0.53) MAPTALDH1A1
SCHEMBL474154 0.72 ALDH1A1 (0.40) YAP1MAPTALDH1A1LMNA
SCHEMBL2716028 0.72 NPC1 (0.42) MAPTACACBKDM4ELMNAGAA
SCHEMBL15808798 0.71 ALDH1A1 (0.45) MAPTACACBALDH1A1KDM4ELMNA

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 12 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-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-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
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