SCHEMBL17677293

SCHEMBL17677293

CONC(=O)c1nn(-c2cccc3c2OC(F)(F)O3)cc(OC)c1=O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.43
P2RX7 Q99572 4/20 0.37
ALOX15 P16050 1/20 0.36
PDE10A Q9Y233 3/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HTR2A P28223 1/20 0.34
ATR Q13535 1/20 0.33
RIPK1 Q13546 1/20 0.32

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
SCHEMBL519104 0.90 ADORA2A (0.40) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL518462 0.89 ADORA2A (0.39) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL518934 0.89 PDE10A (0.40) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL7784423 0.86 ADORA2A (0.37) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL518788 0.85 ADORA2A (0.36) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL518758 0.82 ADORA2A (0.35) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL518759 0.82 ADORA2A (0.35) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL8370043 0.82 P2RX7 (0.41) ADORA2AP2RX7ALOX15PDE10AHTR1A
SCHEMBL10291032 0.80 PDE10A (0.38) ADORA2AP2RX7PDE10AHTR1ADRD2
SCHEMBL10266981 0.79 ALOX15 (0.40) ADORA2AP2RX7ALOX15HTR1ADRD2

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
EP-3006031-A1 PYRIDAZINONE COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2016-04-13 EP disclosed