SCHEMBL474128

SCHEMBL474128

O=C(O)c1cc(OCC(F)F)ccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DTYMK P23919 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CASP6 P55212 1/20 0.43
KDM4E B2RXH2 3/20 0.41
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
AKR1B10 O60218 1/20 0.41
AKR1B1 P15121 1/20 0.41
AKR1C4 P17516 1/20 0.41
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40

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
SCHEMBL8135355 0.86 NPC1 (0.50) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL100516 0.85 TDP1 (0.53) TDP1ALDH1A1MAPTLMNANPC1
SCHEMBL30032710 0.82 DTYMK (0.54) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL8628964 0.82 KMT2A (0.50) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL8872227 0.81 MAPT (0.61) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL28255788 0.81 MEN1 (0.57) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL28411064 0.80 DTYMK (0.51) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL8381314 0.79 MAPT (0.56) DTYMKMEN1KMT2ATDP1KDM4E
SCHEMBL2155062 0.79 MAPT (0.63) DTYMKMEN1KMT2ATTRPPOX
SCHEMBL26343197 0.79 DTYMK (0.50) DTYMKMEN1KMT2ATTRPPOX

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