SCHEMBL6290646

SCHEMBL6290646

CS(=O)(=O)c1ccc(-n2cncc2-c2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.64
IDO1 P14902 3/20 0.53
TDO2 P48775 1/20 0.53
PTGS1 P23219 5/20 0.48
EPHX2 P34913 1/20 0.44

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
SCHEMBL6291082 0.86 PTGS2 (0.62) PTGS2IDO1TDO2PTGS1
SCHEMBL15207832 0.85 PTGS2 (0.49) PTGS2IDO1TDO2EPHX2
SCHEMBL15208285 0.85 PTGS2 (0.52) PTGS2IDO1TDO2
SCHEMBL6294248 0.83 PTGS2 (0.63) PTGS2IDO1TDO2PTGS1
SCHEMBL6180979 0.83 PTGS2 (0.63) PTGS2IDO1TDO2PTGS1
SCHEMBL6291247 0.83 PTGS2 (0.63) PTGS2IDO1PTGS1
SCHEMBL6776350 0.83 PTGS2 (0.46) PTGS2IDO1TDO2PTGS1
SCHEMBL6289849 0.82 PTGS2 (0.59) PTGS2IDO1TDO2PTGS1
SCHEMBL5311686 0.81 PTGS2 (0.68) PTGS2PTGS1EPHX2
SCHEMBL6290654 0.81 PTGS2 (0.64) PTGS2IDO1TDO2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US claimed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP claimed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP claimed
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US disclosed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP disclosed