SCHEMBL8522642

SCHEMBL8522642

CS(=O)(=O)c1ccc(-c2cc3c(-c4ccccc4)c(F)ccc3[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.63
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
KIT P10721 1/20 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
SCHEMBL6344630 0.78 PTGS2 (1.00) PTGS2
SCHEMBL6342302 0.75 PTGS2 (1.00) PTGS2
SCHEMBL6344480 0.75 PTGS2 (1.00) PTGS2
SCHEMBL6351545 0.73 PTGS2 (1.00) PTGS2
SCHEMBL6344115 0.73 PTGS2 (0.73) PTGS2
SCHEMBL6344539 0.72 PTGS2 (1.00) PTGS2
SCHEMBL8308620 0.72 SCD (0.55) PTGS2
SCHEMBL8573911 0.72 PTGS2 (0.50) PTGS2KIT
SCHEMBL6351573 0.72 PTGS2 (1.00) PTGS2
SCHEMBL6350326 0.72 PTGS2 (1.00) PTGS2

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