SCHEMBL15971307

SCHEMBL15971307

O=C(O)c1c([N+](=O)[O-])ccc(F)c1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CASP6 P55212 2/20 0.41
AR P10275 2/20 0.41
ATM Q13315 1/20 0.40
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TTR P02766 2/20 0.39
PPOX P50336 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL31423374 1.00 TDP1 (0.45) TDP1L3MBTL1CASP6ARATM
SCHEMBL8771996 0.87 AR (0.44) TDP1L3MBTL1CASP6ARATM
SCHEMBL21749965 0.81 TDP1 (0.51) TDP1L3MBTL1CASP6ATMMEN1
SCHEMBL29197041 0.80 TDP1 (0.50) TDP1L3MBTL1CASP6ATMMEN1
SCHEMBL10717546 0.79 CES1 (0.38) L3MBTL1TTRALDH1A1LMNAHTT
SCHEMBL9748208 0.78 TDP1 (0.46) TDP1L3MBTL1CASP6ARATM
SCHEMBL21435035 0.77 TDP1 (0.47) TDP1L3MBTL1CASP6ATMMEN1
SCHEMBL1448258 0.77 TDP1 (0.47) TDP1L3MBTL1CASP6ATMAKR1C2
SCHEMBL1448267 0.77 TDP1 (0.56) TDP1L3MBTL1CASP6ATMMEN1
SCHEMBL31146201 0.77 TDP1 (0.56) TDP1L3MBTL1CASP6ATMMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014128612-A1 QUINAZOLIN-4-ONE DERIVATIVES NOVARTIS AG (CH) 2014-08-28 WO disclosed