SCHEMBL6540453

SCHEMBL6540453

COc1ccc(-n2nc(C(C)C)cc2-c2ccc(OCCNC(N)=O)cc2)cc1.C[Si](C)(C)N=C=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.42
PTGS1 P23219 1/20 0.42
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL5152241 0.91 PTGS1 (0.49) PTGS2PTGS1FABP3FABP4MALT1
SCHEMBL5148721 0.84 PTGS2 (0.60) PTGS2PTGS1FABP3FABP4MALT1
SCHEMBL5147704 0.83 CCKAR (0.49) PTGS2PTGS1FABP3FABP4MALT1
SCHEMBL5152133 0.82 PTGS2 (0.39) PTGS2PTGS1FABP3FABP4MALT1
SCHEMBL14504708 0.81
SCHEMBL5147883 0.80 MALT1 (0.47) PTGS2PTGS1FABP3FABP4MALT1
SCHEMBL5152203 0.80 MALT1 (0.47) PTGS2PTGS1FABP3FABP4MALT1
SCHEMBL14504707 0.80 RPA1 (0.50) PTGS2PTGS1MALT1CHRNA7
SCHEMBL5148977 0.80 BCL2 (0.43) FABP3FABP4MALT1CHRNA7
SCHEMBL5147814 0.79 MALT1 (0.51) PTGS2PTGS1FABP3FABP4MALT1

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
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 US disclosed