SCHEMBL9207779

SCHEMBL9207779

CCOC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 4/20 0.75
FAAH O00519 4/20 0.58
CHRNA7 P36544 3/20 0.56
RPA1 P27694 1/20 0.54
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PTGS2 P35354 2/20 0.53
PTGS1 P23219 1/20 0.53
MAPT P10636 1/20 0.51
MALT1 Q9UDY8 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL9199132 0.91 CA9 (0.80) CA9FAAHCHRNA7HTTL3MBTL1
SCHEMBL9054421 0.90 CA9 (0.65) CA9FAAHCHRNA7RPA1PTGS2
SCHEMBL9350647 0.87 CA9 (0.71) CA9FAAHCHRNA7RPA1MALT1
SCHEMBL9210890 0.87 CA9 (0.74) CA9FAAHCHRNA7HTTL3MBTL1
SCHEMBL9203320 0.87 CA9 (0.84) CA9FAAHCHRNA7HTTL3MBTL1
SCHEMBL14504353 0.86 CA9 (0.61) CA9FAAHCHRNA7RPA1PTGS2
SCHEMBL27333015 0.86 RPA1 (0.72) CA9CHRNA7RPA1PTGS2PTGS1
SCHEMBL9103432 0.85 CA9 (0.72) CA9FAAHCHRNA7HTTL3MBTL1
SCHEMBL9201580 0.85 CA9 (0.59) CA9FAAHCHRNA7RPA1PTGS2
SCHEMBL9353410 0.85 CHRNA7 (0.72) CA9FAAHCHRNA7RPA1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0418845-B1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1995-08-09 EP disclosed
US-5134142-A PYRAZOLE DERIVATIVES, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-28 US disclosed
EP-0418845-A1 Pyrazole derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-27 EP disclosed