SCHEMBL5746471

SCHEMBL5746471

N=C(N)c1ccc(F)cc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA3 P07451 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
MAOB P27338 1/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
F2 P00734 3/20 0.37
F10 P00742 3/20 0.37
PLG P00747 3/20 0.37
PLAU P00749 3/20 0.37
PLAT P00750 3/20 0.37
PRSS1 P07477 1/20 0.37
P4HB P07237 2/20 0.36
KLK1 P06870 1/20 0.36
KLK5 Q9Y337 1/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8131575 0.80 CES2 (0.56) CA3CA6CA5ACA9CA14
SCHEMBL30038206 0.80 CES2 (0.56) CA3CA6CA5ACA9CA14
SCHEMBL1436288 0.78 MAPT (0.50) CA3CA6CA5ACA9CA14
SCHEMBL6850361 0.78 CA3 (0.48) CA3CA6CA5ACA9CA14
Hydrochloric Acid SCHEMBL9162936 0.78 CES2 (0.54) CA3CA6CA5ACA9CA14
SCHEMBL28013376 0.77 CES2 (0.54) CA9CA14CES2P4HBLMNA
SCHEMBL3367318 0.77 HPGD (0.45) CES2CES1PLAULMNANPC1
Methane SCHEMBL27858172 0.77 CA3 (0.46) CA3CA6CA5ACA9CA14
SCHEMBL16166368 0.76 MAPT (0.57) F2PLGPLAUPRSS1LMNA
SCHEMBL4426660 0.76 CES2 (0.56) CA3CA6CA5ACA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4384013-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-GESELLSCHAFT ZUR FÖRDERUNG DER WISSENSCHAFTEN E.V. (DE) 2024-06-19 EP disclosed
WO-2023073115-A1 PROTEIN AGGREGATION INHIBITING COMPOUNDS FOR PLANT DISEASE CONTROL MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2023-05-04 WO disclosed
EP-1685105-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharmaceuticals SA (CH) 2006-08-02 EP disclosed
WO-2005044797-A1 ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2005-05-19 WO disclosed