SCHEMBL16620136

SCHEMBL16620136

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.47
TTR P02766 1/20 0.47
PPOX P50336 1/20 0.47
KMT2A Q03164 1/20 0.47
HPD P32754 3/20 0.46
MAPK1 P28482 3/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C3 P42330 1/20 0.45
AKR1C2 P52895 1/20 0.45
AKR1C1 Q04828 1/20 0.45
ALDH1A1 P00352 4/20 0.45
CYP3A4 P08684 2/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 1/20 0.45
TXNRD1 Q16881 1/20 0.45
TXNRD3 Q86VQ6 1/20 0.45

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
SCHEMBL16961927 0.84 HPD (0.50) TDP1MEN1TTRPPOXKMT2A
SCHEMBL28865598 0.83 AKR1B1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL16956988 0.79 HPD (0.49) TDP1MEN1TTRPPOXKMT2A
SCHEMBL16031334 0.78 TTR (0.64) TDP1MEN1TTRPPOXKMT2A
SCHEMBL16956851 0.78 HPD (0.45) TDP1MEN1TTRPPOXKMT2A
SCHEMBL9018719 0.77 AKR1B1 (0.46) TDP1MEN1TTRPPOXKMT2A
SCHEMBL27370615 0.77 CFTR (0.56) TDP1MEN1TTRPPOXKMT2A
SCHEMBL3778792 0.74 MAPK1 (0.55) TDP1MAPK1AKR1B1AKR1C4AKR1C3
SCHEMBL30822033 0.74 MAPK1 (0.55) TDP1MAPK1AKR1B1AKR1C4AKR1C3
SCHEMBL4658862 0.74 HPD (0.62) TDP1MEN1KMT2AHPDMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052495-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS Pfizer Inc. (US) 2016-08-10 EP disclosed
WO-2015049616-A1 NOVEL BICYCLIC PYRIDINONES AS GAMMA-SECRETASE MODULATORS PFIZER INC. (US) 2015-04-09 WO disclosed