SCHEMBL7216301

SCHEMBL7216301

COc1ccc(-c2nc3cnccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.56
MAPT P10636 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
PTGS2 P35354 6/20 0.52
GFER P55789 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TUBB4A P04350 4/20 0.51
TUBB P07437 4/20 0.51
TUBA3C P0DPH7 4/20 0.51
TUBA1B P68363 4/20 0.51
TUBA4A P68366 4/20 0.51
TUBB4B P68371 4/20 0.51
TUBB3 Q13509 4/20 0.51
TUBB2A Q13885 4/20 0.51
TUBB8 Q3ZCM7 4/20 0.51
TUBA3E Q6PEY2 4/20 0.51
TUBA1A Q71U36 4/20 0.51
TUBA1C Q9BQE3 4/20 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
SCHEMBL7222428 0.90 GAA (0.55) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL7221208 0.87 PTGS2 (0.59) GAAKDM4ELMNAPTGS2PTGS1
SCHEMBL7218478 0.86 PTGS2 (0.60) GAAALDH1A1KDM4EPTGS2TUBB4A
SCHEMBL7221860 0.84 PTGS2 (0.71) ALDH1A1KDM4EPTGS2TUBB4ATUBB
SCHEMBL7215562 0.83 PTGS2 (0.50) GAAMAPTPTGS2TUBB4ATUBB
SCHEMBL7217007 0.83 PTGS2 (0.52) GAAMAPTALDH1A1KDM4ELMNA
SCHEMBL7221708 0.82 PTGS2 (0.52) GAAMAPTALDH1A1KDM4EPTGS2
SCHEMBL7215555 0.77 KDM4E (0.60) GAAALDH1A1KDM4EPTGS2TUBB4A
SCHEMBL7221568 0.75 GRIA1 (0.53) GAAKDM4ELMNAPTGS2PTGS1
SCHEMBL7221055 0.74 GRIA1 (0.54) GAAALDH1A1KDM4EPTGS2TUBB4A

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-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US disclosed