SCHEMBL1739398

SCHEMBL1739398

C=CCc1cc(C)c(C(=N)NO)cc1C

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.31
ALOX5 P09917 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL1738366 0.79 GAA (0.37) GABRA1GABRB2GAAPOLBHPGD
SCHEMBL1739369 0.75 XDH (0.43) GABRA1GABRB2GAAPOLBHPGD
SCHEMBL10833768 0.73 GABRA1 (0.43) GABRA1GABRB2GAAPOLBALOX5
SCHEMBL11246327 0.72 GABRA1 (0.44) GABRA1GABRB2GAAPOLBALOX5
SCHEMBL1739395 0.72 GABRA1 (0.35) GABRA1GABRB2GAAPOLB
SCHEMBL1739396 0.72 GABRA1 (0.35) GABRA1GABRB2GAAPOLB
SCHEMBL10684859 0.71 GABRA1 (0.52) GABRA1GABRB2GAAPOLBHPGD
SCHEMBL14928804 0.70 GRIN2D (0.35) GAA
SCHEMBL3342637 0.70 HPGD (0.33) GABRA1GABRB2POLBHPGD
SCHEMBL1338680 0.69 HPGD (0.33) GAAHPGD

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-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed