SCHEMBL8303577

SCHEMBL8303577

CS(=O)(=O)c1ccc(-c2cc3ccccc3n2-c2cncnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.51
IDO1 P14902 2/20 0.43
PTGS1 P23219 2/20 0.42
ALOX5 P09917 1/20 0.41
APP P05067 1/20 0.41
CA12 O43570 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
TDO2 P48775 1/20 0.40
HAO1 Q9UJM8 1/20 0.40

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
SCHEMBL8576888 0.88 PTGS2 (0.49) PTGS2IDO1PTGS1
SCHEMBL8303948 0.85 PTGS2 (0.59) PTGS2PTGS1HAO1
SCHEMBL3000770 0.83 HAO1 (0.56) PTGS2PTGS1ALOX5APPHAO1
SCHEMBL12091881 0.82 APP (0.46) PTGS2PTGS1ALOX5APPCA12
SCHEMBL8310335 0.82 PTGS2 (0.59) PTGS2PTGS1APP
SCHEMBL8308575 0.81 PTGS2 (0.68) PTGS2PTGS1HAO1
SCHEMBL8308253 0.81 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL8570396 0.80 PTGS2 (0.60) PTGS2IDO1PTGS1
SCHEMBL8304224 0.79 PTGS2 (0.52) PTGS2PTGS1APPHAO1
SCHEMBL8444527 0.79 PTGS2 (0.52) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0915848-A1 1,2-DIARYLINDOLE AS COX-2 INHIBITORS LABORATOIRES UPSA (FR) 1999-05-19 EP disclosed
WO-1998005639-A1 1,2-DIARYLINDOLE AS COX-2 INHIBITORS LABORATOIRES UPSA (FR) 1998-02-12 WO disclosed