SCHEMBL2646659

SCHEMBL2646659

O=C1OCC(O)=C1c1cccc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.56
PTGS2 P35354 1/20 0.55

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
SCHEMBL2645397 0.84 PTGS1 (0.41) PTGS1
SCHEMBL6340471 0.83 PTGS1 (0.71) PTGS1PTGS2
SCHEMBL2644702 0.81 PTGS1 (0.62) PTGS1PTGS2
SCHEMBL9591664 0.80 MAPT (0.45)
SCHEMBL2599460 0.78 KMT2A (0.64) PTGS1PTGS2
SCHEMBL9196850 0.76 PTGS1 (0.67) PTGS1PTGS2
SCHEMBL2645065 0.75 PTGS1 (0.41) PTGS1
SCHEMBL2646350 0.74 PTGS1 (0.38) PTGS1
SCHEMBL22246018 0.71 PTGS1 (0.53) PTGS1PTGS2
SCHEMBL3246332 0.71 PTGS2 (1.00) PTGS1PTGS2

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-1121361-B1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME (GB) 2007-08-29 EP disclosed
US-6476030-B1 Pyrazolo-triazine derivatives as ligands for GABA receptors MERCK SHARP & DOHME LTD. 2002-11-05 US disclosed
EP-1121361-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS Merck Sharp & Dohme Limited (GB) 2001-08-08 EP disclosed
WO-2000023449-A1 PYRAZOLO-TRIAZINE DERIVATIVES AS LIGANDS FOR GABA RECEPTORS MERCK SHARP & DOHME LIMITED (GB) 2000-04-27 WO disclosed