SCHEMBL6289800

SCHEMBL6289800

CS(=O)(=O)c1ccc(-n2cncc2-c2cccc(F)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.61
IDO1 P14902 1/20 0.48
TDO2 P48775 1/20 0.48
PTGS1 P23219 4/20 0.45

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
SCHEMBL15207493 0.84 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL15208106 0.84 PTGS2 (0.47) PTGS2IDO1PTGS1
SCHEMBL6294248 0.84 PTGS2 (0.63) PTGS2IDO1TDO2PTGS1
SCHEMBL6180979 0.84 PTGS2 (0.63) PTGS2IDO1TDO2PTGS1
SCHEMBL6291219 0.84 PTGS2 (0.58) PTGS2IDO1TDO2PTGS1
SCHEMBL6289821 0.84 PTGS2 (0.61) PTGS2IDO1TDO2PTGS1
SCHEMBL6290554 0.80 PTGS2 (0.61) PTGS2IDO1TDO2PTGS1
SCHEMBL6291094 0.79 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL6291223 0.79 IDO1 (0.53) PTGS2IDO1TDO2PTGS1
SCHEMBL6289849 0.78 PTGS2 (0.59) 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