SCHEMBL5751298

SCHEMBL5751298

CCc1[nH]nc(C(=O)O)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.48
TYMS P04818 3/20 0.37
DHFR P00374 1/20 0.37
HAO1 Q9UJM8 1/20 0.36
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 1/20 0.33

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
SCHEMBL5750124 0.85 L3MBTL1 (0.47) HCAR2
SCHEMBL28835744 0.71 HCAR2 (0.65) HCAR2
SCHEMBL5752981 0.69 MARS1 (0.34) TYMSDHFR
SCHEMBL3085155 0.66 HCAR2 (1.00) HCAR2
SCHEMBL28628018 0.66 HCAR2 (0.67) HCAR2
SCHEMBL17224976 0.65 HCAR2 (0.70) HCAR2
SCHEMBL3131871 0.65 HCAR2 (1.00) HCAR2
SCHEMBL16240034 0.63
SCHEMBL21582145 0.63 HCAR2 (0.43) HCAR2PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL5752055 0.63 SLC22A12 (0.35) TYMSDHFR

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-1299361-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2006-07-19 EP claimed