SCHEMBL4397390

SCHEMBL4397390

Cc1c(C(=O)O)c2cc(Br)cnc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.48
ENPP3 O14638 1/20 0.42
ENPP1 P22413 1/20 0.42
SRC P12931 1/20 0.40
AGTR1 P30556 3/20 0.40
CCKAR P32238 1/20 0.39
PTGDR Q13258 1/20 0.38
PRNP P04156 1/20 0.37
PPARG P37231 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NR2E3 Q9Y5X4 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37

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
SCHEMBL1889325 0.89 PTGDR2 (0.47) PTGDR2ENPP3ENPP1SRCCCKAR
SCHEMBL2962255 0.85 PTGDR2 (0.46) PTGDR2ENPP3ENPP1SRCCCKAR
SCHEMBL16208137 0.84 ENPP3 (0.41) PTGDR2ENPP3ENPP1SRCAGTR1
SCHEMBL15154929 0.83 PTGDR2 (0.45) PTGDR2ENPP3ENPP1SRCCCKAR
SCHEMBL2041243 0.77 PTGDR2 (0.41) PTGDR2ENPP3ENPP1SRC
SCHEMBL13199781 0.76 GAA (0.46) PTGDR2ENPP3ENPP1CCKAR
SCHEMBL2041118 0.75 PTGDR2 (0.47) PTGDR2CCKAR
SCHEMBL2043551 0.75 PTGDR2 (0.47) PTGDR2CCKARPTGDR
SCHEMBL16208220 0.75 AGTR1 (0.42) PTGDR2ENPP3ENPP1AGTR1
SCHEMBL7515939 0.75 ENPP3 (0.50) PTGDR2ENPP3ENPP1SRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2300475-B1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH INC (US) 2014-11-05 EP disclosed
WO-2009151598-A1 DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2009-12-17 WO disclosed